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(R)-4'-phosphopantetheine

PropertiesImage
MNX_IDMNXM373 Image of MNXM373
referencechebi:61723
formulaC11H21N2O7PS
global charge-2
mol weight356.337
InChIKeyJDMUPRLRUUMCTL-VIFPVBQESA-L
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/p-2/t9-/m0/s1
SMILESCC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS
MNX internals
InChI (mnx)InChI=1/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1 Image of MNXM373
SMILES (mnx)[CH3:1][C:11]([CH3:2])([CH2:7][O:20][P:21]([OH:17])([OH:18])=[O:19])[C@H:9]([C:10](=[N:13][CH2:4][CH2:3][C:8](=[N:12][CH2:5][CH2:6][SH:22])[OH:14])[OH:16])[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)30
in models (compartimentalized) 24
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-196767
reactomeM:R-ALL-196767
reactome:R-ALL-6809358
reactomeM:R-ALL-6809358
reactome:R-ALL-8939005
reactomeM:R-ALL-8939005
reactome:R-ALL-9837343
reactomeM:R-ALL-9837343
CHEBI:61723
chebi:61723
JDMUPRLRUUMCTL-VIFPVBQESA-L
(R)-4'-phosphopantetheine
D-pantetheine 4'-phosphate(2-)
N(3)-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide

sabiork.compound:3034
sabiorkM:3034
JDMUPRLRUUMCTL-UHFFFAOYSA-N
4'-Phosphopantetheine
Pantetheine 4'-phosphate
Phosphopantetheine

seed.compound:cpd27792
seedM:cpd27792
4'-phosphopantetheine group

metacyc.compound:PHOSPHOPANTOTHEINE-GROUP
metacycM:PHOSPHOPANTOTHEINE-GROUP
JDMUPRLRUUMCTL-VIFPVBQESA-L
4'-phosphopantetheine group
4'-phosphopantetheine
pantetheine 4'-phosphate
phosphopantotheine

metacyc.compound:PANTETHEINE-P
metacycM:PANTETHEINE-P
JDMUPRLRUUMCTL-VIFPVBQESA-L
4'-phosphopantetheine
pantetheine 4'-phosphate
phosphopantetheine
phosphopantotheine

CHEBI:4222
chebi:4222
JDMUPRLRUUMCTL-VIFPVBQESA-N
D-pantetheine 4'-phosphate
(2R)-2-Hydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethyl-4-(phosphonooxy)butanamide
4'-PHOSPHOPANTETHEINE
4'-Phosphopantetheine
D-Pantetheine 4'-phosphate
N(3)-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
O(4)-phosphono-D-pantethein
Pantetheine-4'-phosphate
Phosphopantetheine
Psh-4'-P

bigg.metabolite:pan4p
biggM:pan4p
JDMUPRLRUUMCTL-UHFFFAOYSA-L
Pantetheine 4'-phosphate
hmdb:HMDB0001416
JDMUPRLRUUMCTL-VIFPVBQESA-N
Pantetheine 4'-phosphate
(2R)-2-Hydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethyl-4-(phosphonooxy)butanamide
(2R)-2-Hydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-4-(phosphonooxy)butanamide
4'-Phosphopantetheine
4'-phosphopantetheine
D-Pantetheine 4'-phosphate
D-Pantetheine 4'-phosphoric acid
O(4)-Phosphono-D-pantethein
PSH-4'-p
Pantetheine 4'-phosphoric acid
Pantetheine phosphate
Pantetheine-4'-phosphate
Pantetheine-4'-phosphoric acid
Phosphopantetheine
[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphonic acid

kegg.compound:C01134
keggC:C01134
JDMUPRLRUUMCTL-VIFPVBQESA-N
Pantetheine 4'-phosphate
4'-Phosphopantetheine
D-Pantetheine 4'-phosphate
Phosphopantetheine

vmhM:pan4p
vmhmetabolite:pan4p
JDMUPRLRUUMCTL-VIFPVBQESA-L
Pantetheine 4-phosphate
[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphonic acid

seed.compound:cpd00834
seedM:cpd00834
JDMUPRLRUUMCTL-VIFPVBQESA-L
Phosphopantetheine
4'-Phosphopantetheine
4'-phosphopantetheine
D-Pantetheine 4'-phosphate
Pantetheine 4'-phosphate
Pantetheine4-phosphate
pan4p
pantetheine 4'-phosphate
pantotheine-4'-phosphate
phosphopantetheine
phosphopantotheine

CHEBI:16858
chebi:16858
JDMUPRLRUUMCTL-UHFFFAOYSA-N
pantetheine 4'-phosphate
4'-Phosphopantetheine
N(3)-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
Pantetheine 4'-phosphate
Phosphopantetheine
Psh-4'-P
pantotheine-4'-phosphate

CHEBI:47942
chebi:47942
JDMUPRLRUUMCTL-UHFFFAOYSA-L
pantetheine 4'-phosphate
N(3)-[2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
pantetheine 4'-phosphate(2-)

hmdb:HMDB01416
chebi:11916
chebi:14735
chebi:14736
chebi:14738
chebi:14825
chebi:25844
chebi:45012
chebi:7914
biggM:M_pan4p
keggC:M_C01134
seedM:M_cpd00834
seedM:M_cpd27792
vmhM:M_pan4p
secondary/obsolete/fantasy identifier