CHEBI:140749 - pentaglutamyl folate(6-)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name pentaglutamyl folate(6-)
ChEBI ID CHEBI:140749
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C39H41N11O18
Net Charge -6
Average Mass 951.807
Monoisotopic Mass 951.26640
InChI InChI=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)/p-6/t20-,21-,22-,23-,24-/m0/s1
InChIKey IVSPPVMFGMVDLI-LSBAASHUSA-H
SMILES NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)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)=CN=C2N1
ChEBI Ontology
Outgoing pentaglutamyl folate(6-) (CHEBI:140749) is a organic molecular entity (CHEBI:50860)