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CHEBI:223996 - Colletopeptide D

ChEBI IDCHEBI:223996
ChEBI NameColletopeptide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46N2O6
Net Charge0
Average Mass518.695
Monoisotopic Mass518.33559
SMILESCC[C@H](C)[C@H]1C(=O)O[C@H](CCCCC[C@@H](C)O)C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C29H46N2O6/c1-6-19(2)26-29(36)37-23(16-12-7-9-13-20(3)32)18-25(33)21(4)27(34)30-24(28(35)31(26)5)17-22-14-10-8-11-15-22/h8,10-11,14-15,19-21,23-26,32-33H,6-7,9,12-13,16-18H2,1-5H3,(H,30,34)/t19-,20+,21+,23+,24+,25+,26-/m0/s1
InChIKeyFYFLUENRPAAKQH-PFDGYMCOSA-N
Species of MetaboliteComponentSourceComments
Colletotrichumspecies S8 (ncbitaxon:1552291) - PubMed (31181925)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Colletopeptide D (CHEBI:223996) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9R,10R,12R)-6-benzyl-3-[(2S)-butan-2-yl]-10-hydroxy-12-[(6R)-6-hydroxyheptyl]-4,9-dimethyl-1-oxa-4,7-diazacyclododecane-2,5,8-trione