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CHEBI:202915 - Cystomanamide C

ChEBI IDCHEBI:202915
ChEBI NameCystomanamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54N6O14
Net Charge0
Average Mass770.834
Monoisotopic Mass770.36980
SMILESCC(C)CCCCC[C@H](CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1)[C@@H](O)C(N)=O)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C34H54N6O14/c1-17(2)9-5-3-8-12-19(37-16-34(53)29(47)27(45)21(41)15-54-34)13-23(43)38-20(14-22(35)42)31(49)39-24(28(46)30(36)48)32(50)40-25(33(51)52)26(44)18-10-6-4-7-11-18/h4,6-7,10-11,17,19-21,24-29,37,41,44-47,53H,3,5,8-9,12-16H2,1-2H3,(H2,35,42)(H2,36,48)(H,38,43)(H,39,49)(H,40,50)(H,51,52)/t19-,20-,21-,24+,25-,26+,27-,28-,29+,34-/m1/s1
InChIKeyZQVAGUCMGLTYLM-XYGWJPTCSA-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 C (CHEBI:202915) is a peptide (CHEBI:16670)
IUPAC Name 
(2R,3S)-2-[[(2S,3R)-4-amino-2-[[(2R)-4-amino-2-[[(3R)-9-methyl-3-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]decanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-4-oxobutanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
Manual XrefsDatabases
78436930ChemSpider