Cyanostatin A (CHEBI:204887)

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CHEBI:204887 - Cyanostatin A

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ChEBI ID	CHEBI:204887
ChEBI Name	Cyanostatin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H57N5O9
Net Charge	0
Average Mass	727.900
Monoisotopic Mass	727.41563
SMILES	CCCCCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCc1ccc(O)cc1)C(=O)O)C(C)C
InChI	InChI=1S/C38H57N5O9/c1-6-7-8-9-10-11-29(39)33(46)36(49)40-24(4)34(47)42-32(23(2)3)37(50)43(5)31(22-26-14-19-28(45)20-15-26)35(48)41-30(38(51)52)21-16-25-12-17-27(44)18-13-25/h12-15,17-20,23-24,29-33,44-46H,6-11,16,21-22,39H2,1-5H3,(H,40,49)(H,41,48)(H,42,47)(H,51,52)/t24-,29+,30-,31-,32-,33-/m0/s1
InChIKey	DPARKGLYGYXUCH-CNYVOHIJSA-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 A (CHEBI:204887) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]propanoyl]amino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid

Manual Xrefs	Databases
9962136	ChemSpider