EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222191 - Microginin 761A

ChEBI IDCHEBI:222191
ChEBI NameMicroginin 761A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H56ClN5O9
Net Charge0
Average Mass762.345
Monoisotopic Mass761.37666
SMILESCC(C)CC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)N(C)C(=O)C(C)NC(=O)C(O)C(N)CCCCCCCCl
InChIInChI=1S/C38H56ClN5O9/c1-23(2)20-32(44(4)37(51)24(3)41-36(50)33(47)29(40)10-8-6-5-7-9-19-39)35(49)42-30(21-25-11-15-27(45)16-12-25)34(48)43-31(38(52)53)22-26-13-17-28(46)18-14-26/h11-18,23-24,29-33,45-47H,5-10,19-22,40H2,1-4H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
InChIKeyGWMQIVOSRJRODQ-UHFFFAOYSA-N
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 761A (CHEBI:222191) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid