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carboxy-S-adenosyl-L-methionine

PropertiesImage
MNX_IDMNXM148125 Image of MNXM148125
referencechebi:134278
formulaC16H22N6O7S
global charge0
mol weight442.454
InChIKeyVFFTYSZNZJBRBG-DYXDMYNLSA-N
InChIInChI=1S/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30?/m0/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[S+](CC[C@H]([NH3+])C(=O)[O-])CC(=O)[O-])[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30?/m0/s1 Image of MNXM148125
SMILES (mnx)[CH2:1]([CH2:2][S+:30]([CH2:3][C@@H:8]1[C@@H:11]([OH:25])[C@@H:12]([OH:26])[C@H:15]([N:22]2[CH:6]=[N:21][C:10]3=[C:13]([NH2:18])[N:19]=[CH:5][N:20]=[C:14]32)[O:29]1)[CH2:4][C:9](=[O:23])[OH:24])[C@@H:7]([C:16](=[O:27])[O-:28])[NH2:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134278
chebi:134278
VFFTYSZNZJBRBG-DYXDMYNLSA-N 		carboxy-S-adenosyl-L-methionine
Cx-SAM
S-adenosyl-S-carboxymethyl-L-homocystein
S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion
carboxy-SAM

seed.compound:cpd35531
seedM:cpd35531
VFFTYSZNZJBRBG-DYXDMYNLSA-N 		Cx-SAM
S-adenosyl-S-carboxymethyl-L-homocystein
[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(carboxymethyl)sulfanium
carboxy-S-adenosyl-L-methionine

metacyc.compound:CPD-15403
metacycM:CPD-15403
VFFTYSZNZJBRBG-DYXDMYNLSA-N 		S-adenosyl-S-carboxymethyl-L-homocysteine
Cx-SAM
[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(carboxymethyl)sulfanium
carboxy-S-adenosyl-L-methionine

CHEBI:136699
chebi:136699
VFFTYSZNZJBRBG-DYXDMYNLSA-O 		S-adenosyl-S-carboxymethyl-L-homocysteine
Cx-SAM
carboxy-S-adenosyl-L-methionine
carboxy-SAM

seedM:M_cpd35531 		secondary/obsolete/fantasy identifier