CHEBI:222314 - Microginin 578A

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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 578A
ChEBI ID CHEBI:222314
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000049833508
Download Molfile XML SDF
Formula C30H50N4O7
Net Charge 0
Average Mass 578.751
Monoisotopic Mass 578.36795
InChI InChI=1S/C30H50N4O7/c1-7-8-9-10-11-12-23(31-5)26(36)28(38)32-20(4)29(39)34(6)25(17-19(2)3)27(37)33-24(30(40)41)18-21-13-15-22(35)16-14-21/h13-16,19-20,23-26,31,35-36H,7-12,17-18H2,1-6H3,(H,32,38)(H,33,37)(H,40,41)
InChIKey ASGNRABWPWMWMJ-UHFFFAOYSA-N
SMILES O=C(O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C(NC)CCCCCCC)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 )
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ChEBI Ontology
Outgoing Microginin 578A (CHEBI:222314) is a peptide (CHEBI:16670)
IUPAC Name
2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid