micafungin

micafungin

5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}

5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl hydrogen sulfate

C56H71N9O23S

{5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzene)amido]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid

Mycamine

http://purl.obolibrary.org/obo/CHEBI_600520

8:14.16

CHEBI:473847

CHEBI:533643

CHEBI:533785

CHEBI:530001

J02AX05

235114-32-6

mycamine

micafungin

fk-463

A cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. It is used as the acetic acid salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are refractory to, or intolerant of, other therapy.

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0001059

http://purl.obolibrary.org/obo/OAE_0000449

http://purl.obolibrary.org/obo/OAE_0000720

http://purl.obolibrary.org/obo/OAE_0000453

http://purl.obolibrary.org/obo/OAE_0001505

http://purl.obolibrary.org/obo/OAE_0000557

http://purl.obolibrary.org/obo/OAE_0001154

http://purl.obolibrary.org/obo/OAE_0000377

http://purl.obolibrary.org/obo/OAE_0000391

http://purl.obolibrary.org/obo/OAE_0000839

http://purl.obolibrary.org/obo/OAE_0000218

http://purl.obolibrary.org/obo/OAE_0000376

http://purl.obolibrary.org/obo/OAE_0000659

http://purl.obolibrary.org/obo/OAE_0000617

http://purl.obolibrary.org/obo/OAE_0001744

http://purl.obolibrary.org/obo/OAE_0001387

http://purl.obolibrary.org/obo/OAE_0001046

http://purl.obolibrary.org/obo/OAE_0000308

http://purl.obolibrary.org/obo/OAE_0001449

http://purl.obolibrary.org/obo/OAE_0000549

http://purl.obolibrary.org/obo/OAE_0000373

http://purl.obolibrary.org/obo/OAE_0000021

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0000660

http://purl.obolibrary.org/obo/OAE_0000197

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0000310

http://purl.obolibrary.org/obo/OAE_0001365

http://purl.obolibrary.org/obo/OAE_0000920

http://purl.obolibrary.org/obo/OAE_0000403

http://purl.obolibrary.org/obo/OAE_0000861

http://purl.obolibrary.org/obo/OAE_0000518

http://purl.obolibrary.org/obo/OAE_0001055

http://purl.obolibrary.org/obo/OAE_0001026

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0001463

http://purl.obolibrary.org/obo/OAE_0000300

http://purl.obolibrary.org/obo/OAE_0001340

http://purl.obolibrary.org/obo/OAE_0000551

http://purl.obolibrary.org/obo/OAE_0001062

http://purl.obolibrary.org/obo/OAE_0000283

http://purl.obolibrary.org/obo/OAE_0001275

http://purl.obolibrary.org/obo/OAE_0000455

http://purl.obolibrary.org/obo/OAE_0000943

http://purl.obolibrary.org/obo/OAE_0000084

http://purl.obolibrary.org/obo/OAE_0001014

http://purl.obolibrary.org/obo/OAE_0001057

http://purl.obolibrary.org/obo/OAE_0000494

http://purl.obolibrary.org/obo/OAE_0000645

http://purl.obolibrary.org/obo/OAE_0000584

http://purl.obolibrary.org/obo/OAE_0001135

http://purl.obolibrary.org/obo/OAE_0001129

http://purl.obolibrary.org/obo/OAE_0002206

http://purl.obolibrary.org/obo/OAE_0000414

http://purl.obolibrary.org/obo/OAE_0000355

http://purl.obolibrary.org/obo/OAE_0000038

http://purl.obolibrary.org/obo/OAE_0001164

http://purl.obolibrary.org/obo/OAE_0000034

http://purl.obolibrary.org/obo/OAE_0000508

http://purl.obolibrary.org/obo/OAE_0000647

http://purl.obolibrary.org/obo/OAE_0000306

http://purl.obolibrary.org/obo/OAE_0000194

http://purl.obolibrary.org/obo/OAE_0000385

http://purl.obolibrary.org/obo/OAE_0000185

http://purl.obolibrary.org/obo/OAE_0000468

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0000487

http://purl.obolibrary.org/obo/OAE_0000860

http://purl.obolibrary.org/obo/OAE_0001217

http://purl.obolibrary.org/obo/OAE_0000396

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0000296

http://purl.obolibrary.org/obo/OAE_0000374

http://purl.obolibrary.org/obo/OAE_0000211

http://purl.obolibrary.org/obo/OAE_0001035

http://purl.obolibrary.org/obo/OAE_0000618

http://purl.obolibrary.org/obo/OAE_0001366

http://purl.obolibrary.org/obo/OAE_0000480

http://purl.obolibrary.org/obo/OAE_0001364

http://purl.obolibrary.org/obo/OAE_0000402

http://purl.obolibrary.org/obo/dinto_3075

http://purl.obolibrary.org/obo/CHEBI_35441

http://purl.obolibrary.org/obo/CHEBI_35718

InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1

InChIKey=PIEUQSKUWLMALL-YABMTYFHSA-N

http://purl.obolibrary.org/obo/dinto_3075

http://purl.obolibrary.org/obo/dinto_3100

http://purl.obolibrary.org/obo/dinto_4200

micafungin

obo2:CHEBI_600520

micafungin

CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O

CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O

micafungin

5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}

5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl hydrogen sulfate

C56H71N9O23S

{5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzene)amido]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid

Mycamine

National Drug Code Directory:0469-3250-10

ChEMBL:17325225

ChEMBL:17307974

ChemSpider:2339421

KEGG DRUG:D08218

Beilstein:9610508

ChEMBL:17325217

Drugs.com:http://www.drugs.com/cdi/micafungin.html

ChEMBL:17194830

ChEMBL:17420211

Wikipedia:http://en.wikipedia.org/wiki/Micafungin

ChEMBL:17785512

PubChem Substance:46508208

PubChem Compound:477468

DrugBank:DB01141

ChEBI:600520

PharmGKB:PA164781026

RxList:http://www.rxlist.com/cgi/generic4/mycamine.htm

CASRN:235114-32-6

http://purl.obolibrary.org/obo/dinto_000055