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CHEBI:89846 - Heptaglutamyl folic acid

ChEBI IDCHEBI:89846
ChEBI NameHeptaglutamyl folic acid
Stars
DownloadsMolfile
FormulaC54H68N14O27
Net Charge0
Average Mass1345.209
Monoisotopic Mass1344.43783
SMILESNc1nc(=O)c2nc(CNc3ccc(C(=O)N(C(=O)[C@@H](N)CCC(=O)O)C(C(=O)OC(=O)[C@@H](N)CCC(=O)O)(C(=O)[C@@H](N)CCC(=O)O)C(C(=O)[C@@H](N)CCC(=O)O)(C(=O)[C@@H](N)CCC(=O)O)C(C(=O)O)(C(=O)[C@@H](N)CCC(=O)O)C(=O)[C@@H](N)CCC(=O)O)cc3)cnc2n1
InChIInChI=1S/C54H68N14O27/c55-24(5-12-31(69)70)39(83)52(49(92)93,40(84)25(56)6-13-32(71)72)53(41(85)26(57)7-14-33(73)74,42(86)27(58)8-15-34(75)76)54(43(87)28(59)9-16-35(77)78,50(94)95-48(91)30(61)11-18-37(81)82)68(47(90)29(60)10-17-36(79)80)46(89)21-1-3-22(4-2-21)63-19-23-20-64-44-38(65-23)45(88)67-51(62)66-44/h1-4,20,24-30,63H,5-19,55-61H2,(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,92,93)(H3,62,64,66,67,88)/t24-,25-,26-,27-,28-,29-,30-,54?/m0/s1
InChIKeyKNLHIYYNBQALAI-IMYKNWLQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (2827456)
Roles Classification
Biological Role:
water-soluble vitamin (role)  Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
Application:
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
ChEBI Ontology
Outgoing Relation(s)
Heptaglutamyl folic acid (CHEBI:89846) is a folic acids (CHEBI:37445)
Synonym  Source
(3S,9S)-3,9-diamino-5,6,6-tris[(2S)-2-amino-4-carboxybutanoyl]-7-{N-[(2S)-2-amino-4-carboxybutanoyl]-1-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(2S)-2-amino-4-carboxybutanoyl]oxy}carbonyl)-4,8-dioxoundecane-1,5,11-tricarboxylic acidHMDB
Manual XrefsDatabases
HMDB0006559HMDB
Citations