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CHEBI:760433 - spx-101

Default Structure
ChEBI IDCHEBI:760433
ChEBI Namespx-101
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC53H90N14O16
Net Charge0
Average Mass1179.385
Monoisotopic Mass1178.66592
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(N)=O)[C@@H](C)O
InChIInChI=1S/C53H90N14O16/c1-12-26(6)40(64-50(80)37-16-13-19-66(37)52(82)35(22-25(4)5)63-45(75)30(10)58-43(73)27(7)54)53(83)67-20-14-15-36(67)49(79)62-33(21-24(2)3)47(77)61-34(23-39(70)71)48(78)60-32(17-18-38(55)69)46(76)65-41(31(11)68)51(81)59-29(9)44(74)57-28(8)42(56)72/h24-37,40-41,68H,12-23,54H2,1-11H3,(H2,55,69)(H2,56,72)(H,57,74)(H,58,73)(H,59,81)(H,60,78)(H,61,77)(H,62,79)(H,63,75)(H,64,80)(H,65,76)(H,70,71)/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,40-,41-/m0/s1
InChIKeyGHHZWRGZMXHMIQ-DZLDEHGNSA-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)
spx-101 (CHEBI:760433) has role antineoplastic agent (CHEBI:35610)
spx-101 (CHEBI:760433) is a polypeptide (CHEBI:15841)
Synonym  Source
Spx-101ChEMBL