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CHEBI:222272 - Microginin 649

ChEBI IDCHEBI:222272
ChEBI NameMicroginin 649
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H55N5O8
Net Charge0
Average Mass649.830
Monoisotopic Mass649.40506
SMILESCCCCCCCC(N)C(O)C(=O)NC(C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)C
InChIInChI=1S/C33H55N5O8/c1-7-8-9-10-11-12-24(34)28(40)32(44)35-21(6)29(41)38-27(20(4)5)31(43)36-25(17-19(2)3)30(42)37-26(33(45)46)18-22-13-15-23(39)16-14-22/h13-16,19-21,24-28,39-40H,7-12,17-18,34H2,1-6H3,(H,35,44)(H,36,43)(H,37,42)(H,38,41)(H,45,46)
InChIKeyGVNAHVNLGQRLGJ-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 649 (CHEBI:222272) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[2-[(3-amino-2-hydroxydecanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid