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CHEBI:201256 - Microginin 51-A

ChEBI IDCHEBI:201256
ChEBI NameMicroginin 51-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H68N6O11
Net Charge0
Average Mass917.114
Monoisotopic Mass916.49461
SMILESCCCCCCC[C@H](N)[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/C49H68N6O11/c1-6-7-8-9-10-12-37(50)43(59)45(61)51-38(27-31-14-20-34(56)21-15-31)46(62)54(5)42(30(2)3)48(64)53(4)41(29-33-18-24-36(58)25-19-33)47(63)55-26-11-13-40(55)44(60)52-39(49(65)66)28-32-16-22-35(57)23-17-32/h14-25,30,37-43,56-59H,6-13,26-29,50H2,1-5H3,(H,51,61)(H,52,60)(H,65,66)/t37-,38-,39-,40+,41-,42-,43-/m0/s1
InChIKeyKNCUIJOWAGGZPU-ZRBRQIMBSA-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-A (CHEBI:201256) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]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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78440104ChemSpider