Admaadda-MS-M-LR
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Basic information
- CAS
141634-77-7- Standard SMILES
CC(=O)O[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CO)N(C)C(=O)CC[C@H](C(=O)O)NC(=O)[C@H]1C- InChIKey
FGMNKDLRQCTWIB-BYOYILFWSA-N- Molecular formula
- C50H76N10O14
- Average molar mass
- 1,041.2 g/mol
- Monoisotopic mass
- 1,040.55424714
Overview
[ADMAdda5,Mser7]MC-LR is a peptide.
Names & identifiers
- Preferred name
- Admaadda-MS-M-LR
- IUPAC
- (2S,5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[3-(diaminomethylideneamino)propyl]-2-(hydroxymethyl)-1,5,12,19-tetramethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
- English name
- Cyanoginosin LA, 1-(N-methylserine)-5-L-arginine-6-((2S,4E,6E,8S,9S)-9 -(acetyloxy)-4,5,6,7-tetradehydro-2,6,8-trimethyl-10-phenyl-L-3-aminod ecanoic acid)-
- Molecular formula
- C50H76N10O14
- Molecular weight
- 1041.19704
Names & synonyms
Admaadda-MS-M-LR141634-77-7[ADMAdda5,Mser7]MC-LR(Admaadda(5)-mser(7))microsystin-LR(2S,5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[3-(diaminomethylideneamino)propyl]-2-(hydroxymethyl)-1,5,12,19-tetramethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acidCyanoginosin LA, 1-(N-methylserine)-5-L-arginine-6-((2S,4E,6E,8S,9S)-9-(acetyloxy)-4,5,6,7-tetradehydro-2,6,8-trimethyl-10-phenyl-L-3-aminodecanoic acid)-CHEBI:214236DTXSID601046045NS00114564Cyanoginosin LA, 1-(N-methylserine)-5-L-arginine-6-((2S,4E,6E,8S,9S)-9 -(acetyloxy)-4,5,6,7-tetradehydro-2,6,8-trimethyl-10-phenyl-L-3-aminod ecanoic acid)-
Database identifiers
- CAS
141634-77-7- PubChem CID
- 6450141
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 380 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 17
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 2,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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