CHEBI:222272 - Microginin 649

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Microginin 649
ChEBI ID CHEBI:222272
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C33H55N5O8
Net Charge 0
Average Mass 649.830
Monoisotopic Mass 649.40506
InChI InChI=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)
InChIKey GVNAHVNLGQRLGJ-UHFFFAOYSA-N
SMILES O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(O)C(N)CCCCCCC)C)C(C)C)CC(C)C)CC1=CC=C(O)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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