Colletopeptide C (CHEBI:223991)

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CHEBI:223991 - Colletopeptide C

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ChEBI ID	CHEBI:223991
ChEBI Name	Colletopeptide C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H46N2O6
Net Charge	0
Average Mass	518.695
Monoisotopic Mass	518.33559
SMILES	CC(C)[C@H]1C(=O)O[C@H]([C@@H](C)CCCC[C@@H](C)O)C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C
InChI	InChI=1S/C29H46N2O6/c1-18(2)26-29(36)37-25(19(3)12-10-11-13-20(4)32)17-24(33)21(5)27(34)30-23(28(35)31(26)6)16-22-14-8-7-9-15-22/h7-9,14-15,18-21,23-26,32-33H,10-13,16-17H2,1-6H3,(H,30,34)/t19-,20+,21+,23+,24+,25-,26-/m0/s1
InChIKey	UTXNSDOAIBMTMJ-ULSNTHSRSA-N

Species of Metabolite	Component	Source	Comments
Colletotrichumspecies S8 (ncbitaxon:1552291)	-	PubMed (31181925)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Colletopeptide C (CHEBI:223991) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9R,10R,12S)-6-benzyl-10-hydroxy-12-[(2S,7R)-7-hydroxyoctan-2-yl]-4,9-dimethyl-3-propan-2-yl-1-oxa-4,7-diazacyclododecane-2,5,8-trione

Manual Xrefs	Databases
128437998	ChemSpider