Cavinafungin B (CHEBI:213850)

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CHEBI:213850 - Cavinafungin B

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ChEBI ID	CHEBI:213850
ChEBI Name	Cavinafungin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H71N5O8
Net Charge	0
Average Mass	750.035
Monoisotopic Mass	749.53026
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](C)C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCO)C(=O)N[C@@H](C)C=O)C(C)C)[C@@H](C)O
InChI	InChI=1S/C40H71N5O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(49)43-36(31(6)48)40(53)45-26-29(4)25-33(45)38(51)44-35(28(2)3)39(52)42-32(23-24-46)37(50)41-30(5)27-47/h14-15,27-33,35-36,46,48H,7-13,16-26H2,1-6H3,(H,41,50)(H,42,52)(H,43,49)(H,44,51)/b15-14-/t29-,30+,31-,32+,33+,35+,36+/m1/s1
InChIKey	CZLLOPRJUYUCQD-AFRNNPFGSA-N

Species of Metabolite	Component	Source	Comments
Colispora cavincola (ncbitaxon:2074856)	-	PubMed (25636062)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cavinafungin B (CHEBI:213850) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2S,4R)-1-[(2S,3R)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]butanoyl]-N-[(2S)-1-[[(2S)-4-hydroxy-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpyrrolidine-2-carboxamide

Manual Xrefs	Databases
59004882	ChemSpider