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CHEBI:200427 - Microginin 51-B

ChEBI IDCHEBI:200427
ChEBI NameMicroginin 51-B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H70N6O11
Net Charge0
Average Mass931.141
Monoisotopic Mass930.51026
SMILESCCCCCCC[C@H](NC)[C@H](O)C(=O)N[C@@H](Cc1ccc(O)cc1)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/C50H70N6O11/c1-7-8-9-10-11-13-38(51-4)44(60)46(62)52-39(28-32-15-21-35(57)22-16-32)47(63)55(6)43(31(2)3)49(65)54(5)42(30-34-19-25-37(59)26-20-34)48(64)56-27-12-14-41(56)45(61)53-40(50(66)67)29-33-17-23-36(58)24-18-33/h15-26,31,38-44,51,57-60H,7-14,27-30H2,1-6H3,(H,52,62)(H,53,61)(H,66,67)/t38-,39-,40-,41+,42-,43-,44-/m0/s1
InChIKeyDHZQUBRGHKSKJI-GLEMDPEOSA-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 51-B (CHEBI:200427) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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