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N-[(R)-4-phosphopantothenoyl]-L-cysteine

PropertiesImage
MNX_IDMNXM730898 Image of MNXM730898
referencechebi:59458
formulaC12H20N2O9PS
global charge-3
mol weight399.338
InChIKeyXQYALQVLCNHCFT-CBAPKCEASA-K
InChIInChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/p-3/t7-,9-/m0/s1
SMILESCC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1 Image of MNXM730898
SMILES (mnx)[CH3:1][C:12]([CH3:2])([CH2:6][O:23][P:24]([OH:20])([OH:21])=[O:22])[C@H:9]([C:10](=[N:13][CH2:4][CH2:3][C:8](=[N:14][C@@H:7]([CH2:5][SH:25])[C:11](=[O:18])[OH:19])[OH:15])[OH:17])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-196834
reactomeM:R-ALL-196834
CHEBI:59458
chebi:59458
XQYALQVLCNHCFT-CBAPKCEASA-K 		N-[(R)-4-phosphopantothenoyl]-L-cysteine
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate trianion
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-)
N-{N-[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl]-beta-alanyl}-L-cysteinate

seed.compound:cpd02666
seedM:cpd02666
XQYALQVLCNHCFT-CBAPKCEASA-J 		(R)-4'-Phosphopantothenoyl-L-cysteine
(R)-4'-phospho-N-pantothenoyl-L-cysteine
(R)-4'-phosphopantothenoyl-L-cysteine
4'-P-N-pantothenoylcysteine
4'-phospho-N-pantothenoylcysteine
4'-phosphopantothenoylcysteine
4-P-N-pantothenoylcysteine
4ppcys
N-((R)-4-Phosphopantothenoyl)-L-cysteine
N-((R)-4-phosphopantothenoyl)-L-cysteine
N-(-R-4-Phosphopantothenoyl)-L-cysteine
N-[(R)-4'-Phosphopantothenoyl]-L-cysteine
N-[(R)-4'-phosphopantothenoyl]-L-cysteine
PPC
R-4'-phosphopantothenoyl-L-cysteine

sabiork.compound:7255
sabiorkM:7255
kegg.compound:C04352
keggC:C04352
XQYALQVLCNHCFT-CBAPKCEASA-N 		(R)-4'-Phosphopantothenoyl-L-cysteine
N-[(R)-4'-Phosphopantothenoyl]-L-cysteine

metacyc.compound:R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE
metacycM:R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE
XQYALQVLCNHCFT-CBAPKCEASA-K 		(R)-4'-phosphopantothenoyl-L-cysteine
(R)-4'-phospho-N-pantothenoyl-L-cysteine
4'-P-N-pantothenoylcysteine
4'-phospho-N-pantothenoylcysteine
4'-phosphopantothenoylcysteine
4-P-N-pantothenoylcysteine
N-((R)-4-phosphopantothenoyl)-L-cysteine
N-[(R)-4'-phosphopantothenoyl]-L-cysteine
PPC
hmdb:HMDB0001117
XQYALQVLCNHCFT-CBAPKCEASA-N 		4'-Phosphopantothenoylcysteine
(2R)-2-{3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanamido}-3-sulfanylpropanoic acid
(R)-4'-Phospho-N-pantothenoyl-L-cysteine
(R)-4'-Phosphopantothenoyl-L-cysteine
(R)-N-[N-[2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-b-alanyl]-L-cysteine
(R)-N-[N-[2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-beta-alanyl]-L-cysteine
4'-Phospho-N-pantothenoylcysteine
4'-Phosphopantothenoyl-L-cysteine
4'-p-N-Pantothenoylcysteine
4-p-N-Pantothenoylcysteine
N-((R)-4'-Phosphopantothenoyl)-L-cysteine
N-((R)-4-Phosphopantothenoyl)-L-cysteine
N-[(2R)-2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-beta-alanyl-L-cysteine
N-[(R)-4'-Phosphopantothenoyl]-L-cysteine
Pantothenoylcysteine 4'-phosphate
Pantothenylcysteine 4'-phosphate

bigg.metabolite:4ppcys
biggM:4ppcys
XQYALQVLCNHCFT-CBAPKCEASA-K 		N-((R)-4-Phosphopantothenoyl)-L-cysteine

vmhM:4ppcys
vmhmetabolite:4ppcys
XQYALQVLCNHCFT-CBAPKCEASA-K 		N-((R)-4-Phosphopantothenoyl)-L-cysteine
(2R)-2-{3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanamido}-3-sulfanylpropanoic acid

CHEBI:15769
chebi:15769
XQYALQVLCNHCFT-CBAPKCEASA-N 		N-[(R)-4-phosphopantothenoyl]-L-cysteine
(R)-4'-Phosphopantothenoyl-L-cysteine
N-((R)-4'-phosphopantothenoyl)-L-cysteine
N-[(R)-4'-Phosphopantothenoyl]-L-cysteine
N-{N-[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]-beta-alanyl}-L-cysteine

hmdb:HMDB0062257
hmdb:HMDB01117
hmdb:HMDB62257
chebi:10987
chebi:12438
chebi:21461
chebi:328
chebi:57507
biggM:M_4ppcys
keggC:M_C04352
seedM:M_cpd02666
vmhM:M_4ppcys 		secondary/obsolete/fantasy identifier