xenin   Click here for help

GtoPdb Ligand ID: 1587

Synonyms: xenin-25
Species: Human, Mouse, Rat
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CCCCN)Cc1[nH]cnc1)Cc1ccccc1)CO)CC(C)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(CCSC)N)CC(C)C)CCCCN)Cc1ccccc1)CCC(=O)O)CCCCN)CO)C)CCCNC(=N)N
Isomeric SMILES NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CCCCN)Cc1[nH]cnc1)Cc1ccccc1)CO)CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)N)CC(C)C)CCCCN)Cc1ccccc1)CCC(=O)O)CCCCN)CO)C)CCCNC(=N)N
InChI InChI=1S/C139H224N38O32S/c1-15-79(10)111(132(203)169-103(137(208)209)64-77(6)7)173-126(197)101(67-85-69-152-89-41-23-22-40-87(85)89)167-130(201)107-49-34-59-176(107)135(206)96(47-33-58-151-139(147)148)163-117(188)91(43-25-29-54-141)159-129(200)106-48-35-60-177(106)136(207)102(68-86-70-149-74-154-86)168-124(195)100(66-84-38-20-17-21-39-84)166-128(199)105(73-179)171-122(193)97(62-75(2)3)156-108(182)71-153-116(187)90(42-24-28-53-140)160-131(202)110(78(8)9)172-120(191)94(46-32-57-150-138(145)146)157-114(185)80(11)155-127(198)104(72-178)170-119(190)93(45-27-31-56-143)162-133(204)112(81(12)180)174-121(192)95(50-51-109(183)184)158-123(194)99(65-83-36-18-16-19-37-83)165-118(189)92(44-26-30-55-142)161-134(205)113(82(13)181)175-125(196)98(63-76(4)5)164-115(186)88(144)52-61-210-14/h16-23,36-41,69-70,74-82,88,90-107,110-113,152,178-181H,15,24-35,42-68,71-73,140-144H2,1-14H3,(H,149,154)(H,153,187)(H,155,198)(H,156,182)(H,157,185)(H,158,194)(H,159,200)(H,160,202)(H,161,205)(H,162,204)(H,163,188)(H,164,186)(H,165,189)(H,166,199)(H,167,201)(H,168,195)(H,169,203)(H,170,190)(H,171,193)(H,172,191)(H,173,197)(H,174,192)(H,175,196)(H,183,184)(H,208,209)(H4,145,146,150)(H4,147,148,151)/t79-,80-,81+,82+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,110-,111-,112-,113-/m0/s1
InChI Key IDHVLSACPFUBDY-QCDLPZBNSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Synonyms Click here for help
xenin-25
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
COPA COPI coat complex subunit alpha Human proxenin coatomer protein complex subunit alpha, coatomer protein complex, subunit alpha, HEP-COP
Copa coatomer protein complex subunit alpha Mouse proxenin -
Copa COPI coat complex subunit alpha Rat proxenin coatomer protein complex subunit alpha, coatomer subunit alpha
Database Links Click here for help
CAS Registry No. 144092-28-4
CATH/Gene3D 1.25.40.10, 2.130.10.10
GtoPdb PubChem SID 135651922
PubChem CID 16131039
Search Google for chemical match using the InChIKey IDHVLSACPFUBDY-QCDLPZBNSA-N
Search Google for chemicals with the same backbone IDHVLSACPFUBDY
Search UniChem for chemical match using the InChIKey IDHVLSACPFUBDY-QCDLPZBNSA-N
Search UniChem for chemicals with the same backbone IDHVLSACPFUBDY
UniProtKB P53621 (Hs), Q8CIE6 (Mm), Q5BJV4 (Rn)
Wikipedia Xenin