Microginin 99-A (CHEBI:199464)

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CHEBI:199464 - Microginin 99-A

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ChEBI ID	CHEBI:199464
ChEBI Name	Microginin 99-A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H58ClN5O8
Net Charge	0
Average Mass	772.384
Monoisotopic Mass	771.39739
SMILES	CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H](N)CCCCCCCCl)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O
InChI	InChI=1S/C40H58ClN5O8/c1-26(2)22-33(38(51)45(3)35(24-28-14-18-31(48)19-15-28)39(52)46-21-9-11-34(46)40(53)54)44-37(50)32(23-27-12-16-30(47)17-13-27)43-36(49)25-29(42)10-7-5-4-6-8-20-41/h12-19,26,29,32-35,47-48H,4-11,20-25,42H2,1-3H3,(H,43,49)(H,44,50)(H,53,54)/t29-,32+,33+,34+,35+/m1/s1
InChIKey	DRNVSYAWHUZNCC-QDALIAGFSA-N

Species of Metabolite	Component	Source	Comments
Cyanobacterium (ncbitaxon:102234)	-	DOI (10.1016/s0040-4020(98)00826-6)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Microginin 99-A (CHEBI:199464) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3R)-3-amino-10-chlorodecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Manual Xrefs	Databases
8756421	ChemSpider