Cormycin A
AlkaPlorer ID: AK293003
Synonym: None
IUPAC Name: 2-[(9Z)-21-(2-amino-2-oxoethyl)-24-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-27-(3,4-dihydroxyhexadecanoylamino)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-15-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid
Structure
SMILES: C/C=C1\NC(=O)C(C(C)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCO)NC(=O)C(CC(N)=O)NC(=O)C(CCCN)NC(=O)C(NC(=O)CC(O)C(O)CCCCCCCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
InChI: InChI=1S/C54H88ClN13O20/c1-4-6-7-8-9-10-11-12-13-14-17-36(71)37(72)23-40(75)60-35-26-88-54(87)42(38(73)24-55)67-52(84)43(44(76)53(85)86)68-45(77)30(5-2)61-51(83)41(28(3)70)66-49(81)33(21-29-25-58-27-59-29)64-47(79)32(18-20-69)63-48(80)34(22-39(57)74)65-46(78)31(16-15-19-56)62-50(35)82/h5,25,27-28,31-38,41-44,69-73,76H,4,6-24,26,56H2,1-3H3,(H2,57,74)(H,58,59)(H,60,75)(H,61,83)(H,62,82)(H,63,80)(H,64,79)(H,65,78)(H,66,81)(H,67,84)(H,68,77)(H,85,86)/b30-5-
InChIKey: KEVCKIWILVJQPO-GWLNDQIASA-N
Reference
CAS: 821768-27-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas corrugata | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1274.8219999999997
TPSA？: 544.67
MolLogP？: -5.747000000000027
Number of H-Donors: 19
Number of H-Acceptors: 21
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|