CHEBI:222287 - Microginin 717

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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 717
ChEBI ID CHEBI:222287
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 C33H53Cl2N5O8
Net Charge 0
Average Mass 718.710
Monoisotopic Mass 717.32712
InChI InChI=1S/C33H53Cl2N5O8/c1-18(2)16-24(30(44)39-25(33(47)48)17-21-12-14-22(41)15-13-21)38-31(45)27(19(3)4)40-29(43)20(5)37-32(46)28(42)23(36)10-8-6-7-9-11-26(34)35/h12-15,18-20,23-28,41-42H,6-11,16-17,36H2,1-5H3,(H,37,46)(H,38,45)(H,39,44)(H,40,43)(H,47,48)
InChIKey PGOCYMDESLNMJY-UHFFFAOYSA-N
SMILES ClC(Cl)CCCCCCC(N)C(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC(C)C)C(C)C)C
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 717 (CHEBI:222287) is a peptide (CHEBI:16670)
IUPAC Name
2-[[2-[[2-[2-[(3-amino-10,10-dichloro-2-hydroxydecanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid