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CHEBI:140748 - pentaglutamyl folate

Default Structure
ChEBI IDCHEBI:140748
ChEBI Namepentaglutamyl folate
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC39H47N11O18
Net Charge0
Average Mass957.864
Monoisotopic Mass957.31005
SMILESNc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2n1
InChIInChI=1S/C39H47N11O18/c40-39-49-31-30(33(58)50-39)43-19(16-42-31)15-41-18-3-1-17(2-4-18)32(57)48-24(38(67)68)8-13-28(54)46-22(36(63)64)6-11-26(52)44-20(34(59)60)5-10-25(51)45-21(35(61)62)7-12-27(53)47-23(37(65)66)9-14-29(55)56/h1-4,16,20-24,41H,5-15H2,(H,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,57)(H,55,56)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H3,40,42,49,50,58)/t20-,21-,22-,23-,24-/m0/s1
InChIKeyIVSPPVMFGMVDLI-LSBAASHUSA-N
ChEBI Ontology
Outgoing Relation(s)
pentaglutamyl folate (CHEBI:140748) is a organic molecular entity (CHEBI:50860)