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(R)-4'-phosphopantothenate

MNXM415 is deprecated and here replaced by MNXM735771
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735771 Image of MNXM735771
referencechebi:10986
formulaC9H15NO8P
global charge-3
mol weight296.192
InChIKeyXHFVGHPGDLDEQO-ZETCQYMHSA-K
InChIInChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/p-3/t7-/m0/s1
SMILESCC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1 Image of MNXM735771
SMILES (mnx)[CH3:1][C:9]([CH3:2])([CH2:5][O:18][P:19]([OH:15])([OH:16])=[O:17])[C@H:7]([C:8](=[N:10][CH2:4][CH2:3][C:6](=[O:11])[OH:12])[OH:14])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-196786
reactomeM:R-ALL-196786
CHEBI:10986
chebi:10986
XHFVGHPGDLDEQO-ZETCQYMHSA-K 		(R)-4'-phosphopantothenate
(R)-4'-phosphonatopantothenate(3-)
3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanamido]propanoate

CHEBI:12886
chebi:12886
XHFVGHPGDLDEQO-ZETCQYMHSA-M 		(R)-4'-phosphopantothenate(1-)
3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanamido]propanoate

CHEBI:20891
chebi:20891
XHFVGHPGDLDEQO-ZETCQYMHSA-L 		(R)-4'-phosphopantothenate(2-)
3-[(2R)-2-hydroxy-4-[(hydroxyphosphinato)oxy]-3,3-dimethylbutanamido]propanoate

metacyc.compound:4-P-PANTOTHENATE
metacycM:4-P-PANTOTHENATE
XHFVGHPGDLDEQO-ZETCQYMHSA-K 		(R)-4'-phosphopantothenate
4'-P-Pantothenate
4'-phosphopantothenate
D-4'-phosphopantothenate

CHEBI:15905
chebi:15905
XHFVGHPGDLDEQO-ZETCQYMHSA-N 		(R)-4'-phosphopantothenic acid
(R)-4'-Phosphopantothenate
(R)-N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-beta-alanine
3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanamido]propanoic acid
D-4'-Phosphopantothenate
N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
phosphopantothenic acid

seed.compound:cpd02201
seedM:cpd02201
XHFVGHPGDLDEQO-ZETCQYMHSA-K 		4-phosphopantothenate
(R)-4'-Phosphopantothenate
(R)-4'-phosphopantothenate
4'-P-Pantothenate
4'-phosphopantothenate
4ppan
D-4'-Phosphopantothenate
D-4'-phosphopantothenate
D-4-Phosphopantothenate

bigg.metabolite:4ppan
biggM:4ppan
XHFVGHPGDLDEQO-ZETCQYMHSA-K 		D-4'-Phosphopantothenate
hmdb:HMDB0001016
XHFVGHPGDLDEQO-ZETCQYMHSA-N 		D-4'-Phosphopantothenate
(R)-4'-Phosphonatopantothenate
(R)-4'-Phosphopantothenate
(R)-4'-Phosphopantothenic acid
(R)-4'-phosphonatopantothenate
(R)-4'-phosphopantothenate
(R)-N-(2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-b-alanine
(R)-N-(2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-beta-alanine
4'-Phospho-D-pantothenic acid
4'-Phosphopantothenate
4'-Phosphopantothenic acid
4'-phospho-D-pantothenic acid
4'-phosphopantothenate
4'-phosphopantothenic acid
D-4'-Phosphopantothenic acid
D-4'-phosphopantothenate
D-4'-phosphopantothenic acid
D-Pantothenic acid 4'-phosphate
N-[(2R)-2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-beta-alanine
N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-b-alanine
N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
Phosphopantothenate
Phosphopantothenic acid
Phosphopantothenic acid, calcium salt (2:1)
Phosphopantothenic acid, calcium salt, (R)-isomer

sabiork.compound:6663
sabiorkM:6663
kegg.compound:C03492
keggC:C03492
XHFVGHPGDLDEQO-ZETCQYMHSA-K
XHFVGHPGDLDEQO-ZETCQYMHSA-N 		D-4'-Phosphopantothenate
(R)-4'-Phosphopantothenate

vmhM:4ppan
vmhmetabolite:4ppan
XHFVGHPGDLDEQO-ZETCQYMHSA-K 		D-4-Phosphopantothenate
3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanoic acid

hmdb:HMDB0062700
hmdb:HMDB01016
hmdb:HMDB62700
chebi:18702
chebi:4082
biggM:M_4ppan
keggC:M_C03492
seedM:M_cpd02201
vmhM:M_4ppan 		secondary/obsolete/fantasy identifier