Calpinactam (CHEBI:211543)

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CHEBI:211543 - Calpinactam

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ChEBI ID	CHEBI:211543
ChEBI Name	Calpinactam
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H57N9O8
Net Charge	0
Average Mass	767.929
Monoisotopic Mass	767.43301
SMILES	CC[C@H](C)C(NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H]1CCCCNC1=O
InChI	InChI=1S/C38H57N9O8/c1-5-23(4)32(38(55)44-27-13-9-10-16-41-34(27)51)47-35(52)28(14-15-31(48)49)43-37(54)30(19-25-20-40-21-42-25)46-36(53)29(17-22(2)3)45-33(50)26(39)18-24-11-7-6-8-12-24/h6-8,11-12,20-23,26-30,32H,5,9-10,13-19,39H2,1-4H3,(H,40,42)(H,41,51)(H,43,54)(H,44,55)(H,45,50)(H,46,53)(H,47,52)(H,48,49)/t23-,26+,27-,28+,29-,30-,32?/m0/s1
InChIKey	GPDRWULXOJRYOR-KOWARKBQSA-N

Species of Metabolite	Component	Source	Comments
Mortierella (ncbitaxon:4855)	-	PubMed (20186169)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Calpinactam (CHEBI:211543) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(4R)-4-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(3S)-3-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-2-yl]amino]-5-oxopentanoic acid

Manual Xrefs	Databases
78437984	ChemSpider