EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222170 - Microginin 741C

ChEBI IDCHEBI:222170
ChEBI NameMicroginin 741C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H59N5O9
Net Charge0
Average Mass741.927
Monoisotopic Mass741.43128
SMILESCCCCCCCC(N)C(O)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40)34(47)36(49)41-25(4)37(50)44(6)33(21-24(2)3)38(51)43(5)32(23-27-15-19-29(46)20-16-27)35(48)42-31(39(52)53)22-26-13-17-28(45)18-14-26/h13-20,24-25,30-34,45-47H,7-12,21-23,40H2,1-6H3,(H,41,49)(H,42,48)(H,52,53)
InChIKeyCFPZJODEBABGTA-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 741C (CHEBI:222170) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[2-[(3-amino-2-hydroxydecanoyl)amino]propanoyl-methylamino]-4-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid