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CHEBI:209623 - Cystomanamide B

ChEBI IDCHEBI:209623
ChEBI NameCystomanamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H57N7O14
Net Charge0
Average Mass859.931
Monoisotopic Mass859.39635
SMILESCC(C)CCCCC[C@@H](N)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)OC[C@@H](O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](O)c1ccccc1)[C@@H](O)C(N)=O
InChIInChI=1S/C40H57N7O14/c1-21(2)9-5-3-8-12-24(41)18-30(51)44-26(19-29(42)50)36(55)46-31(34(53)35(43)54)38(57)47-32(33(52)23-10-6-4-7-11-23)40(60)61-20-28(49)37(56)45-27(39(58)59)17-22-13-15-25(48)16-14-22/h4,6-7,10-11,13-16,21,24,26-28,31-34,48-49,52-53H,3,5,8-9,12,17-20,41H2,1-2H3,(H2,42,50)(H2,43,54)(H,44,51)(H,45,56)(H,46,55)(H,47,57)(H,58,59)/t24-,26-,27-,28-,31+,32-,33+,34-/m1/s1
InChIKeyXVVKSDYJVOKNQB-YUSBRPJASA-N
Species of MetaboliteComponentSourceComments
Cystobacter (ncbitaxon:42) - PubMed (24735013)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cystomanamide B (CHEBI:209623) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(2R)-2-[[(2R)-3-[(2R,3S)-2-[[(2S,3R)-4-amino-2-[[(2R)-4-amino-2-[[(3R)-3-amino-9-methyldecanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-4-oxobutanoyl]amino]-3-hydroxy-3-phenylpropanoyl]oxy-2-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
58825837ChemSpider