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CHEBI:199681 - Topostin D (D640)

ChEBI IDCHEBI:199681
ChEBI NameTopostin D (D640)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H68N2O7
Net Charge0
Average Mass640.947
Monoisotopic Mass640.50265
SMILESCCCCCCCCCCCCC[C@H](CC(=O)NCC(=O)N[C@@H](CO)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C36H68N2O7/c1-4-5-6-7-8-9-10-13-16-19-22-25-31(27-33(40)37-28-34(41)38-32(29-39)36(43)44)45-35(42)26-23-20-17-14-11-12-15-18-21-24-30(2)3/h30-32,39H,4-29H2,1-3H3,(H,37,40)(H,38,41)(H,43,44)/t31-,32+/m1/s1
InChIKeyFYYPBKAUUIEWNN-ZWXJPIIXSA-N
Species of MetaboliteComponentSourceComments
Aeromonas (ncbitaxon:642) - DOI (10.1016/s0040-4020(98)83004-4)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Topostin D (D640) (CHEBI:199681) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-3-hydroxy-2-[[2-[[(3R)-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetyl]amino]propanoic acid
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