CHEBI:208285 - Microginin 299-D

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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 299-D
ChEBI ID CHEBI:208285
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H57Cl2N5O8
Net Charge 0
Average Mass 758.780
Monoisotopic Mass 757.35842
InChI InChI=1S/C36H57Cl2N5O8/c1-21(2)29(40-32(46)31(45)25(39)12-9-7-8-10-14-28(37)38)34(48)42(6)30(22(3)4)35(49)41(5)27(20-23-15-17-24(44)18-16-23)33(47)43-19-11-13-26(43)36(50)51/h15-18,21-22,25-31,44-45H,7-14,19-20,39H2,1-6H3,(H,40,46)(H,50,51)/t25-,26-,27-,29-,30-,31-/m0/s1
InChIKey HTFQBZAJDJYYJL-JTLZFHFRSA-N
SMILES ClC(Cl)CCCCCC[C@H](N)[C@H](O)C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)O)CCC1)CC2=CC=C(O)C=C2)C)C(C)C)C)C(C)C
Metabolite of Species Details
Cyanobacterium (NCBI:txid102234) See: DOI
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 299-D (CHEBI:208285) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Manual Xref Database
8570779 ChemSpider
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