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CHEBI:756780 - ec-17

Default Structure
ChEBI IDCHEBI:756780
ChEBI Nameec-17
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC42H36N10O10S
Net Charge0
Average Mass872.877
Monoisotopic Mass872.23366
SMILESNC(=O)CC[C@@H](C(=O)O)N(CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)c1ccc(NCc2cnc3nc(N)nc(=O)c3n2)cc1
InChIInChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1
InChIKeyZMTAPBHUSYTHBY-PMERELPUSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ec-17 (CHEBI:756780) has role antineoplastic agent (CHEBI:35610)
ec-17 (CHEBI:756780) is a glutamine derivative (CHEBI:70813)
Synonyms  Source
Ec 17ChEMBL
Ec-17ChEMBL
Ec17 (folate-fitc)ChEMBL
Folate-fitcChEMBL
Folate-fluorescein conjugateChEMBL