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CHEBI:219469 - Hormaomycin

ChEBI IDCHEBI:219469
ChEBI NameHormaomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H69ClN10O14
Net Charge0
Average Mass1129.666
Monoisotopic Mass1128.46832
SMILESC/C=C\[C@H]1C[C@H]2C(=O)O[C@H](C)[C@@H](NC(=O)[C@H](C[C@@H]3C[C@H]3[N+](=O)[O-])NC(=O)c3ccc(Cl)n3O)C(=O)N[C@@H]([C@H](C)c3ccccc3)C(=O)N[C@H](C[C@@H]3C[C@H]3[N+](=O)[O-])C(=O)N[C@@H]([C@H](C)c3ccccc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2C1
InChIInChI=1S/C55H69ClN10O14/c1-7-15-32-22-42-55(74)80-31(6)47(62-49(68)37(23-35-25-40(35)65(76)77)57-50(69)39-20-21-43(56)64(39)75)53(72)61-45(29(4)33-16-11-9-12-17-33)51(70)58-38(24-36-26-41(36)66(78)79)48(67)60-46(30(5)34-18-13-10-14-19-34)52(71)59-44(28(3)8-2)54(73)63(42)27-32/h7,9-21,28-32,35-38,40-42,44-47,75H,8,22-27H2,1-6H3,(H,57,69)(H,58,70)(H,59,71)(H,60,67)(H,61,72)(H,62,68)/b15-7-/t28-,29+,30+,31+,32-,35+,36+,37-,38+,40+,41+,42-,44-,45-,46-,47+/m0/s1
InChIKeyYOUXQVRIWHZWQN-DKPCRMJRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/anie.199000641)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hormaomycin (CHEBI:219469) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S)-1-[[(3S,6S,9R,12S,15R,16R,19S,21R)-3-[(2S)-butan-2-yl]-16-methyl-9-[[(1R,2R)-2-nitrocyclopropyl]methyl]-2,5,8,11,14,18-hexaoxo-6,12-bis[(1R)-1-phenylethyl]-21-[(Z)-prop-1-enyl]-17-oxa-1,4,7,10,13-pentazabicyclo[17.3.0]docosan-15-yl]amino]-3-[(1R,2R)-2-nitrocyclopropyl]-1-oxopropan-2-yl]-5-chloro-1-hydroxypyrrole-2-carboxamide
Manual XrefsDatabases
9426831ChemSpider