Met007280: Folinic acid
Metabolite Information
Name
Folinic acid
IUPAC Name
(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Formula
C20H23N7O7
Molecular Weight
473.4
Exact Mass
473.1658961
SMILES
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
InChIKey
VVIAGPKUTFNRDU-ABLWVSNPSA-N
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Pteridines and derivatives
Subclass:
Pterins and derivatives
Crops containing this metabolite
astragalus
bittermelon
cabbage
carrot
cauliflower
chestnut
chickpea
cucumber
lemon
lentil
mango
parsley
pea
peach
peanut
perilla
taro
watermelon
bittermelon
cabbage
carrot
cauliflower
chestnut
chickpea
cucumber
lemon
lentil
mango
parsley
pea
peach
peanut
perilla
taro
watermelon
Metabolite Spectrum Accession Label
AS04439p
AS02438n
BIT00165p
BIT00527p
CAB00248p
CAR00200n
CAR00355n
CAU00342p
CHE00204p
CHE00439n
CHE00587n
CHI00665p
CUC00128n
CUC00186p
CUC00288n
LEM00023p
LEM00120n
LEN00269p
LEN00318p
MAN00435n
PAR01007p
PEACH00175p
PEACH00329p
PEA00517p
PEA00593p
PEAN00010n
PEAN00186p
PEAN00232p
PER00254n
PER00817p
TAR00061p
TAR00110p
TAR00118p
TAR00152p
TAR00172p
TAR00217p
WAT00085p
WAT00201n
WAT00266p
WAT00268p
WAT00344n
AS02438n
BIT00165p
BIT00527p
CAB00248p
CAR00200n
CAR00355n
CAU00342p
CHE00204p
CHE00439n
CHE00587n
CHI00665p
CUC00128n
CUC00186p
CUC00288n
LEM00023p
LEM00120n
LEN00269p
LEN00318p
MAN00435n
PAR01007p
PEACH00175p
PEACH00329p
PEA00517p
PEA00593p
PEAN00010n
PEAN00186p
PEAN00232p
PER00254n
PER00817p
TAR00061p
TAR00110p
TAR00118p
TAR00152p
TAR00172p
TAR00217p
WAT00085p
WAT00201n
WAT00266p
WAT00268p
WAT00344n