CHEBI:214825 - Microginin FR5

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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 FR5
ChEBI ID CHEBI:214825
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 C38H55N5O9
Net Charge 0
Average Mass 725.884
Monoisotopic Mass 725.39998
InChI InChI=1S/C38H55N5O9/c1-4-5-6-7-8-10-28(39)33(46)36(49)42-32(23(2)3)37(50)43-20-9-11-31(43)35(48)40-29(21-24-12-16-26(44)17-13-24)34(47)41-30(38(51)52)22-25-14-18-27(45)19-15-25/h12-19,23,28-33,44-46H,4-11,20-22,39H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,51,52)
InChIKey KXRLIMLXCPEJPD-UHFFFAOYSA-N
SMILES O=C(NC(C(=O)NC(C(=O)O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)C3N(C(=O)C(NC(=O)C(O)C(N)CCCCCCC)C(C)C)CCC3
Metabolite of Species Details
Microcystisspecies (NCBI:txid1127) See: PubMed
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 FR5 (CHEBI:214825) is a peptide (CHEBI:16670)
IUPAC Name
2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid