CHEBI:226866 - Microginin SD755

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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 SD755
ChEBI ID CHEBI:226866
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000085646088
Download Molfile XML SDF
Formula C40H61N5O9
Net Charge 0
Average Mass 755.954
Monoisotopic Mass 755.44693
InChI InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
InChIKey LGIDGQNWZFGZCH-WVNIJTHNSA-N
SMILES O=C(O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C(O)C(NC)CCCCC)C(C)C)C)[C@H](CC)C)C)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2
Metabolite of Species Details
Microcystis aeruginosa (NCBI:txid1126) 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 SD755 (CHEBI:226866) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-hydroxy-3-(methylamino)octanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual Xref Database
8684706 ChemSpider
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