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carboxy-S-adenosyl-L-methionine

Properties

Image

Occurences in reactions

MNX_ID

MNXM148125

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₁₆H₂₂N₆O₇S

charge

mass

442.12707

reference

chebi:134278

InChIKey

VFFTYSZNZJBRBG-DYXDMYNLSA-N

InChI

InChI=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

SMILES

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[S+](CC[C@H]([NH3+])C(=O)[O-])CC(=O)[O-])[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134278 chebi:134278	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	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	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	S-adenosyl-S-carboxymethyl-L-homocysteine Cx-SAM carboxy-S-adenosyl-L-methionine carboxy-SAM
seedM:M_cpd35531	secondary/obsolete/fantasy identifier