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Hexaglutamyl folate (THF)

PropertiesImageOccurences in reactions
MNX_IDMNXM526247Image of MNXM526247
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC44H54N12O21
charge0
mass1086.35265
referencehmdb:HMDB0060217
InChIKeyFWAQAOUHULVCBP-ZUFQSMHDSA-N
InChIInChI=1S/C44H54N12O21/c45-21(36(66)67)5-10-26(57)43(15-30(61)62,27(58)11-6-22(46)37(68)69)44(28(59)12-7-23(47)38(70)71,41(76)77-31(63)14-9-25(49)40(74)75)56(29(60)13-8-24(48)39(72)73)35(65)18-1-3-19(4-2-18)51-16-20-17-52-33-32(53-20)34(64)55-42(50)54-33/h1-4,17,21-25,51H,5-16,45-49H2,(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H3,50,52,54,55,64)/t21-,22-,23-,24-,25-,44-/m1/s1
SMILESN=c1nc(O)c2nc(CNc3ccc(C(=O)N(C(=O)CC[C@@H](N)C(=O)O)[C@](C(=O)CC[C@@H](N)C(=O)O)(C(=O)OC(=O)CC[C@@H](N)C(=O)O)C(CC(=O)O)(C(=O)CC[C@@H](N)C(=O)O)C(=O)CC[C@@H](N)C(=O)O)cc3)cnc2[nH]1
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0060217 Hexaglutamyl folate (THF)
(2R,7R,11R)-2,11-diamino-6-[(4R)-4-amino-4-carboxybutanoyl]-7-{N-[(4R)-4-amino-4-carboxybutanoyl]-1-(4-{[(4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(4R)-4-amino-4-carboxybutanoyl]oxy}carbonyl)-6-(carboxymethyl)-5,8-dioxododecanedioic acid
(2R,7R,11R)-2,11-diamino-6-[(4R)-4-amino-4-carboxybutanoyl]-7-{N-[(4R)-4-amino-4-carboxybutanoyl]-1-(4-{[(4-hydroxy-2-imino-1H-pteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(4R)-4-amino-4-carboxybutanoyl]oxy}carbonyl)-6-(carboxymethyl)-5,8-dioxododecanedioic acid
Hexaglutamyl folic acid (THF)
hmdb:HMDB60217 secondary/obsolete/fantasy identifier