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CHEBI:198278 - Microginin 91-A

ChEBI IDCHEBI:198278
ChEBI NameMicroginin 91-A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H51ClN4O6
Net Charge0
Average Mass575.191
Monoisotopic Mass574.34971
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](O)[C@H](N)CCCCCCCCl)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C28H51ClN4O6/c1-6-19(4)23(31-25(35)24(34)20(30)13-10-8-7-9-11-15-29)27(37)32(5)22(17-18(2)3)26(36)33-16-12-14-21(33)28(38)39/h18-24,34H,6-17,30H2,1-5H3,(H,31,35)(H,38,39)/t19-,20+,21-,22-,23-,24+/m0/s1
InChIKeyMECPYWUIDGLDCB-DVZKKUMJSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(00)00770-5)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microginin 91-A (CHEBI:198278) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
8992271ChemSpider