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tetrahydrofolyl-poly(glutamic acid) macromolecule

MNXM733068 is deprecated and here replaced by MNXM1103840
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103840 Image of MNXM1103840
referencechebi:28624
formulaC24H30N8O9
global charge0
mol weight574.551
InChIKeyZAOGJXDWOQXFBW-UHFFFAOYSA-N
InChIInChI=1S/C24H30N8O9/c25-24-31-19-18(21(37)32-24)28-13(10-27-19)9-26-12-3-1-11(2-4-12)20(36)30-15(23(40)41)5-7-16(33)29-14(22(38)39)6-8-17(34)35/h1-4,13-15,26,28H,5-10H2,(H,29,33)(H,30,36)(H,34,35)(H,38,39)(H,40,41)(H4,25,27,31,32,37)
SMILESNC1=NC2=C(NC(CNC3=CC=C(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C=C3)CN2)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C24H30N8O9/c25-24-31-19-18(21(37)32-24)28-13(10-27-19)9-26-12-3-1-11(2-4-12)20(36)30-15(23(40)41)5-7-16(33)29-14(22(38)39)6-8-17(34)35/h1-4,13-15,26,28H,5-10H2,(H,29,33)(H,30,36)(H,34,35)(H,38,39)(H,40,41)(H4,25,27,31,32,37)/t13?,14?,15? Image of MNXM1103840
SMILES (mnx)[CH:1]1=[CH:3][C:12]([NH:26][CH2:9][CH:13]2[CH2:10][NH:27][C:19]3=[C:18]([C:21]([OH:37])=[N:32][C:24](=[NH:25])[NH:31]3)[NH:28]2)=[CH:4][CH:2]=[C:11]1[C:20]([NH:30][CH:15]([CH2:5][CH2:7][C:16](=[N:29][CH:14]([CH2:6][CH2:8][C:17](=[O:34])[OH:35])[C:22](=[O:38])[OH:39])[OH:33])[C:23](=[O:40])[OH:41])=[O:36]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-197969
reactomeM:R-ALL-197969
reactome:R-ALL-200679
reactomeM:R-ALL-200679
CHEBI:28624
chebi:28624
ZAOGJXDWOQXFBW-UHFFFAOYSA-N 		tetrahydrofolyl-poly(glutamic acid) macromolecule
N-[(4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)carbonyl]poly(gamma-glutamyl)glutamic acid
THF-polyglutamate
Tetrahydrofolyl-[Glu](n)
Tetrahydrofolyl-[Glu](n+1)
Tetrahydropteroyl-[gamma-Glu]n
Tetrahydropteroyl-[gamma-Glu]n+1
tetrahydrofolyl-(Glu)n

seed.compound:cpd06227
seedM:cpd06227
ZAOGJXDWOQXFBW-UHFFFAOYSA-N 		THF-L-glutamate
(6S)-H4PteGlu(n)
THF-polyglutamate
Tetrahydrofolyl-[Glu](n)
Tetrahydrofolyl-[Glu](n+1)
Tetrahydrofolyl-[Glu](n-1)
Tetrahydropteroyl-[gamma-Glu]n
Tetrahydropteroyl-[gamma-Glu]n+1
thfglu

chebi:26910
chebi:9484
seedM:M_cpd06227 		secondary/obsolete/fantasy identifier