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CHEBI:750193 - endothelin 3

Default Structure
ChEBI IDCHEBI:750193
ChEBI Nameendothelin 3
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC122H170N26O33S4
Net Charge0
Average Mass2657.119
Monoisotopic Mass2655.13065
SMILES[H][C@@]12CSSC[C@]([H])(NC(=O)[C@@]([H])([C@@H](C)O)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3cncn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc3cnc4ccccc34)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@H](C)O)C(=O)N[C@H](CCc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N2
InChIInChI=1S/C122H170N26O33S4/c1-11-63(7)98(118(176)140-90(122(180)181)50-71-54-127-78-25-17-16-24-76(71)78)146-119(177)99(64(8)12-2)145-113(171)89(53-96(158)159)138-107(165)83(46-61(3)4)133-110(168)87(51-72-55-126-60-128-72)136-114(172)91-57-183-182-56-77(125)102(160)147-100(65(9)149)121(179)143-92-58-184-185-59-93(116(174)144-97(62(5)6)117(175)139-85(49-70-32-39-75(153)40-33-70)108(166)134-84(109(167)142-91)48-69-30-37-74(152)38-31-69)141-106(164)82(42-43-94(154)155)131-103(161)79(26-18-20-44-123)130-111(169)88(52-95(156)157)137-104(162)80(27-19-21-45-124)129-105(163)81(41-34-67-28-35-73(151)36-29-67)132-120(178)101(66(10)150)148-112(170)86(135-115(92)173)47-68-22-14-13-15-23-68/h13-17,22-25,28-33,35-40,54-55,60-66,77,79-93,97-101,127,149-153H,11-12,18-21,26-27,34,41-53,56-59,123-125H2,1-10H3,(H,126,128)(H,129,163)(H,130,169)(H,131,161)(H,132,178)(H,133,168)(H,134,166)(H,135,173)(H,136,172)(H,137,162)(H,138,165)(H,139,175)(H,140,176)(H,141,164)(H,142,167)(H,143,179)(H,144,174)(H,145,171)(H,146,177)(H,147,160)(H,148,170)(H,154,155)(H,156,157)(H,158,159)(H,180,181)/t63-,64-,65+,66-,77+,79-,80-,81+,82-,83-,84-,85+,86+,87-,88+,89-,90-,91-,92-,93+,97-,98-,99-,100+,101-/m0/s1
InChIKeyZGOVYTPSWMLYOF-QEADGSHQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
endothelin 3 (CHEBI:750193) has role antihypertensive agent (CHEBI:35674)
endothelin 3 (CHEBI:750193) is a polypeptide (CHEBI:15841)
Synonym  Source
Endothelin 3ChEMBL
Citations