PEPTIDE CORPUS

Cardiovascular & General; Cardiovascular & Metabolic

Endothelin-1

Space-filling model of Endothelin-1

Last updated

Evidence on file5 human observational studies · 2 animal studies · 4 citations not yet graded
Strongest sourceNCT00406731: Role of endothelin-and Nitric Oxide-system in the Regulation of Optic Nerve Head Blood Flow Duri… (human observational study)

Dosing on file unverified

Research: 0.4-5.0 pmol/kg/min; 0.2-8 pmol/kg/min; 1.0-2.5 ng/kg/min × 7h; Bolus: 0.001-7.5 µg/kg

Carried from a source that labels it unverified, and reproduced with that label attached. A record of what is reported, not a recommendation. No citation on this page establishes it.

Literature on file 11

Not graded

4 citations whose study design could not be read from the title. Left ungraded rather than guessed at.

Identity

PubChem CID 16212950 computed 3D conformer Space-filling 3D model of Endothelin-1, carbon grey, nitrogen blue, oxygen red
Built from the SMILES on this record — the atoms, bonds and stereochemistry are exact. The shape is one computed low-energy pose, not a measured structure: a flexible peptide in solution has no single conformation. The skeletal formula below claims connectivity and nothing more, which is what we actually know.
Skeletal formulathe canonical depiction
2D chemical structure of Endothelin-1

Drawn by PubChem from CID 16212950, the identifier on this record.

Molecular weight
2491.9
Molecular formula
C109H159N25O32S5
CAS number
117399-94-7
PubChem CID
16212950
UniProt
P05305 (precursor)
InChI key
ZUBDGKVDJUIMQQ-ZTNLKOGPSA-N
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC6=CC=CC=C6)CC7=CC=C(C=C7)O)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)CO)N
InChI
InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1

Notes unverified prose

Human research studies only; Human research IV infusions

Not on file 1

1 of the 8 fields we track hold nothing on this record, and each says why. A blank field is a bug; a named absence is a finding.

Each field links to every other record missing the same thing. The full ledger holds 521 gaps across 136 records.

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Share card for Endothelin-1: structure, evidence rung and sources on file
www.peptidecorpus.com/peptides/endothelin-1