EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216398 - Microginin 299-B

ChEBI IDCHEBI:216398
ChEBI NameMicroginin 299-B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H66Cl2N6O10
Net Charge0
Average Mass921.961
Monoisotopic Mass920.42175
SMILESCC(C)[C@H](NC(=O)[C@@H](O)[C@@H](N)CCCCCCC(Cl)Cl)C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C
InChIInChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
InChIKeyIPQXHBHVRZYMAN-RATCGQHHSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(98)00826-6)
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 299-B (CHEBI:216398) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
9941013ChemSpider