loading...| Preferred Name |
Polymyxin B |
|
| Synonyms |
4,10-anhydro{N-[(6R)-6-methyloctanoyl]-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-phenylalanyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine} polymyxin B1 polymycin B Polymyxin B(1) |
|
| Definitions |
A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8309 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:1650428 PMID:14212410 CAS:4135-11-9 PMID:26803416 PMID:13058849 Beilstein:8609638 Reaxys:9838039 |
|
| definition |
A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus. |
|
| formula |
C56H98N16O13 |
|
| has_exact_synonym |
4,10-anhydro{N-[(6R)-6-methyloctanoyl]-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-phenylalanyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine} polymyxin B1 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
polymycin B Polymyxin B(1) |
|
| has_RxCUI |
8536 |
|
| id |
CHEBI:8309 |
|
| in_subset | ||
| inchi |
InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32-,33-,34-,36+,37+,38+,39+,40+,41+,42+,43-,45+,46+/m1/s1 |
|
| inchikey |
WQVJHHACXVLGBL-GOVYWFKWSA-N |
|
| label |
Polymyxin B polymyxin B1 |
|
| mass |
1203.47670 |
|
| monoisotopicmass |
1202.74993 |
|
| notation |
CHEBI:8309 |
|
| prefLabel |
Polymyxin B |
|
| smiles |
CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O |
|
| subClassOf |