Cyanostatin B (CHEBI:226967)

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CHEBI:226967 - Cyanostatin B

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ChEBI ID	CHEBI:226967
ChEBI Name	Cyanostatin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H59N5O9
Net Charge	0
Average Mass	753.938
Monoisotopic Mass	753.43128
SMILES	CCCCCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)CC
InChI	InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25?,30-,31+,32+,33+,34+,35+/m1/s1
InChIKey	BDDHCMIGYUBMCI-CXZNUDFZSA-N

Species of Metabolite	Component	Source	Comments
Microcystisspecies (ncbitaxon:1127)	-	PubMed (15721946)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cyanostatin B (CHEBI:226967) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Manual Xrefs	Databases
78437817	ChemSpider