CHEBI:222163 - Microginin 741A

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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 741A
ChEBI ID CHEBI:222163
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000049833508
Download Molfile XML SDF
Formula C39H59N5O9
Net Charge 0
Average Mass 741.927
Monoisotopic Mass 741.43128
InChI InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
InChIKey AQINXMPZZHMZRR-UHFFFAOYSA-N
SMILES O=C(O)C(NC(=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)CC2=CC=C(O)C=C2
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 741A (CHEBI:222163) is a peptide (CHEBI:16670)
IUPAC Name
2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid