EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220785 - Microginin 91-D

ChEBI IDCHEBI:220785
ChEBI NameMicroginin 91-D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60ClN5O8
Net Charge0
Average Mass738.367
Monoisotopic Mass737.41304
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)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C37H60ClN5O8/c1-6-24(4)31(41-34(47)32(45)27(39)13-10-8-7-9-11-19-38)36(49)42(5)30(21-23(2)3)35(48)43-20-12-14-29(43)33(46)40-28(37(50)51)22-25-15-17-26(44)18-16-25/h15-18,23-24,27-32,44-45H,6-14,19-22,39H2,1-5H3,(H,40,46)(H,41,47)(H,50,51)/t24-,27+,28-,29-,30-,31-,32+/m0/s1
InChIKeyVERJLHWODWFYHF-GPRDHDTNSA-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-D (CHEBI:220785) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
8660544ChemSpider