Calcaripeptide C (CHEBI:220700)

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CHEBI:220700 - Calcaripeptide C

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ChEBI ID	CHEBI:220700
ChEBI Name	Calcaripeptide C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H32N2O5
Net Charge	0
Average Mass	428.529
Monoisotopic Mass	428.23112
SMILES	C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O[C@H](C)CC[C@@H](C)C1=O
InChI	InChI=1S/C24H32N2O5/c1-15-11-12-16(2)31-24(30)20-10-7-13-26(20)23(29)19(14-18-8-5-4-6-9-18)25-22(28)17(3)21(15)27/h4-6,8-9,15-17,19-20H,7,10-14H2,1-3H3,(H,25,28)/t15-,16-,17+,19+,20+/m1/s1
InChIKey	JFXPTGJYLLVAFU-JOMPHRNESA-N

Species of Metabolite	Component	Source	Comments
Calcarisporium (ncbitaxon:150368)	-	PubMed (23865792)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Calcaripeptide C (CHEBI:220700) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,8R,11R,14S)-3-benzyl-6,8,11-trimethyl-12-oxa-1,4-diazabicyclo[12.3.0]heptadecane-2,5,7,13-tetrone

Manual Xrefs	Databases
78440286	ChemSpider