CHEBI:200908 - WB-3559 C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name WB-3559 C
ChEBI ID CHEBI:200908
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H68N2O7
Net Charge 0
Average Mass 640.947
Monoisotopic Mass 640.50265
InChI InChI=1S/C36H68N2O7/c1-29(2)22-18-14-10-6-5-7-13-17-21-25-35(42)45-31(24-20-16-12-9-8-11-15-19-23-30(3)4)26-33(40)37-27-34(41)38-32(28-39)36(43)44/h29-32,39H,5-28H2,1-4H3,(H,37,40)(H,38,41)(H,43,44)/t31-,32+/m1/s1
InChIKey SGQHHKMEFFGXAS-ZWXJPIIXSA-N
SMILES O=C(O)[C@@H](NC(=O)CNC(=O)C[C@H](OC(=O)CCCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C)CO
Metabolite of Species Details
Flavobacterium (NCBI:txid237) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing WB-3559 C (CHEBI:200908) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-3-hydroxy-2-[[2-[[(3R)-14-methyl-3-(13-methyltetradecanoyloxy)pentadecanoyl]amino]acetyl]amino]propanoic acid
Manual Xref Database
111949 ChemSpider
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