loading...| Preferred Name |
daptomycin |
|
| Synonyms |
C72H101N17O26 daptomycine daptomycin N-decanoyl-L-tryptophyl-D-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine epsilon(1)-lactone daptomicina N-decanoyl-L-tryptophyl-D-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine 1.13-3.4-lactone N-decanoyl-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-alpha-asparagine Daptomycin daptomycinum |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_600103 |
|
| altId |
CHEBI:478255 CHEBI:321017 CHEBI:478132 CHEBI:29570 |
|
| ATCCode |
J01XX09 |
|
| CASRN |
103060-53-3 |
|
| DBBrand |
cubicin |
|
| DBname |
daptomycin |
|
| DBSynonym |
ly 146032 |
|
| Definition |
A polypeptide comprising N-decanoyltryptophan, D-asparagine, aspartic acid, threonine, glycine, ornithine, aspartic acid, D-alanine, aspartic acid, glycine, D-serine, threo-3-methylglutamic acid and 3-anthraniloylalanine coupled in sequence and lactonised by condensation of the carboxylic acid group of the 3-anthraniloylalanine with the alcohol group of the threonine residue. |
|
| has pharmacological target |
http://purl.obolibrary.org/obo/dinto_2436 http://purl.obolibrary.org/obo/dinto_2434 |
|
| has role | ||
| InChI |
InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45-,46+,47+,48+,49+,50-,60+,61+/m1/s1 |
|
| InChIKey |
InChIKey=DOAKLVKFURWEDJ-QCMAZARJSA-N |
|
| label |
daptomycin |
|
| prefixIRI |
obo2:CHEBI_600103 |
|
| prefLabel |
daptomycin |
|
| related with |
http://purl.obolibrary.org/obo/dinto_2436 http://purl.obolibrary.org/obo/dinto_2434 |
|
| SMILES |
CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC1=O)[C@H](C)CC(O)=O |
|
| Synonym |
C72H101N17O26 daptomycine daptomycin N-decanoyl-L-tryptophyl-D-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine epsilon(1)-lactone daptomicina N-decanoyl-L-tryptophyl-D-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine 1.13-3.4-lactone N-decanoyl-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-alpha-asparagine Daptomycin daptomycinum |
|
| xref |
Wikipedia:http://en.wikipedia.org/wiki/Daptomycin KEGG COMPOUND:C12013 DrugBank:DB00080 National Drug Code Directory:67919-011-01 CASRN:103060-53-3 KEGG DRUG:D01080 Wikipedia:Daptomycin CiteXplore:15870461 RxList:http://www.rxlist.com/cgi/generic3/cubicin.htm Drugs.com:http://www.drugs.com/cdi/daptomycin.html ChEMBL:14622998 PharmGKB:PA164768820 |
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| subClassOf |