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CHEBI:755749 - recanaclotide

Default Structure
ChEBI IDCHEBI:755749
ChEBI Namerecanaclotide
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC45H73N14O21PS6
Net Charge0
Average Mass1369.532
Monoisotopic Mass1368.31366
SMILESCC(C)C[C@@H]1NC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(=O)O)CSSC[C@H](NC1=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O)CSSC[C@H](N)C(=O)N2
InChIInChI=1S/C45H73N14O21PS6/c1-18(2)8-22-36(65)56-27-15-86-87-17-29(44(73)74)50-32(62)10-49-42(71)33(20(4)60)58-41(70)28(54-34(63)19(3)46)16-85-84-13-25(39(68)53-24(37(66)51-22)11-80-81(77,78)79)55-35(64)21(47)12-82-83-14-26(57-40(27)69)38(67)52-23(9-31(48)61)43(72)59-7-5-6-30(59)45(75)76/h18-30,33,60H,5-17,46-47H2,1-4H3,(H2,48,61)(H,49,71)(H,50,62)(H,51,66)(H,52,67)(H,53,68)(H,54,63)(H,55,64)(H,56,65)(H,57,69)(H,58,70)(H,73,74)(H,75,76)(H2,77,78,79)/t19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+,30-,33-/m0/s1
InChIKeyFZQZIDKDPOOFLL-VSMCNCMQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
gastrointestinal drug  A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion.
ChEBI Ontology
Outgoing Relation(s)
recanaclotide (CHEBI:755749) has role gastrointestinal drug (CHEBI:55324)
recanaclotide (CHEBI:755749) is a polypeptide (CHEBI:15841)
INNs  Source
recanaclotidaWHO MedNet
recanaclotideWHO MedNet
Synonym  Source
IW-9179ChEMBL