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CHEBI:213809 - Microginin 299-A

ChEBI IDCHEBI:213809
ChEBI NameMicroginin 299-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H67ClN6O10
Net Charge0
Average Mass887.516
Monoisotopic Mass886.46072
SMILESCC(C)[C@H](NC(=O)[C@@H](O)[C@@H](N)CCCCCCCCl)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/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKeyGTUNZCVHPMEXMH-ZTYVOHGWSA-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-A (CHEBI:213809) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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8232083ChemSpider