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CHEBI:211188 - Hormaomycin B

ChEBI IDCHEBI:211188
ChEBI NameHormaomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H67ClN10O14
Net Charge0
Average Mass1115.639
Monoisotopic Mass1114.45267
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](Cc3ccccc3)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/C54H67ClN10O14/c1-6-14-32-22-42-54(73)79-30(5)46(61-49(68)38(24-35-26-41(35)65(77)78)57-50(69)39-19-20-43(55)63(39)74)52(71)58-36(21-31-15-10-8-11-16-31)47(66)56-37(23-34-25-40(34)64(75)76)48(67)60-45(29(4)33-17-12-9-13-18-33)51(70)59-44(28(3)7-2)53(72)62(42)27-32/h6,8-20,28-30,32,34-38,40-42,44-46,74H,7,21-27H2,1-5H3,(H,56,66)(H,57,69)(H,58,71)(H,59,70)(H,60,67)(H,61,68)/b14-6-/t28-,29+,30+,32-,34+,35-,36-,37+,38-,40+,41-,42-,44-,45-,46+/m0/s1
InChIKeyHSSQGTKMQIAYNB-ARSFXBAVSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (26287218)
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 B (CHEBI:211188) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S)-1-[[(3S,6S,9R,12S,15R,16R,19S,21R)-12-benzyl-3-[(2S)-butan-2-yl]-16-methyl-9-[[(1R,2R)-2-nitrocyclopropyl]methyl]-2,5,8,11,14,18-hexaoxo-6-[(1R)-1-phenylethyl]-21-[(Z)-prop-1-enyl]-17-oxa-1,4,7,10,13-pentazabicyclo[17.3.0]docosan-15-yl]amino]-3-[(1S,2S)-2-nitrocyclopropyl]-1-oxopropan-2-yl]-5-chloro-1-hydroxypyrrole-2-carboxamide
Manual XrefsDatabases
78441494ChemSpider