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CHEBI:756372 - mipsagargin

Default Structure
ChEBI IDCHEBI:756372
ChEBI Namemipsagargin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC66H100N6O27
Net Charge0
Average Mass1409.541
Monoisotopic Mass1408.66364
SMILES[H][C@@]12OC(=O)[C@@](C)(O)[C@@]1(O)[C@@H](OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(=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[C@](C)(OC(C)=O)[C@]1([H])C2=C(C)[C@H](OC(=O)/C(C)=C\C)[C@H]1OC(=O)CCCCCCC
InChIInChI=1S/C66H100N6O27/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/b36-9-/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+/m0/s1
InChIKeyUPYNTAIBQVNPIH-ODMLWHIESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
mipsagargin (CHEBI:756372) has role antineoplastic agent (CHEBI:35610)
mipsagargin (CHEBI:756372) is a oligopeptide (CHEBI:25676)
INNs  Source
mipsagarginWHO MedNet
mipsagarginaWHO MedNet
mipsagargineWHO MedNet
Synonym  Source
G-202ChEMBL
Citations