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CHEBI:233311 - Adropin (34-76)

Default Structure
ChEBI IDCHEBI:233311
ChEBI NameAdropin (34-76)
Stars
Submitterlbonaobra
DownloadsMolfile
FormulaC190H293N55O68S2
Net Charge0
Average Mass4499.885
Monoisotopic Mass4497.06014
SMILES[H][C@]1(N)CSSC[C@@]([H])(C(=O)N2CCC[C@@]2([H])/C(O)=N/[C@@]([H])(CCC(=O)O)/C(O)=N/[C@@]([H])(CCCCN)/C(O)=N/[C@@]([H])(C)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])/C(O)=N/[C@@]([H])(CCC(=N)O)/C(O)=N/[C@@]([H])(CCCCN)C(=O)N2CCC[C@@]2([H])/C(O)=N/[C@@]([H])(CO)/C(O)=N/[C@@]([H])(Cc2cncn2)/C(O)=N/[C@@]([H])(CCC(=O)O)/C(O)=N/C/C(O)=N/[C@@]([H])(CO)/C(O)=N/[C@@]([H])(Cc2ccc(O)cc2)/C(O)=N/[C@@]([H])(CC(C)C)/C(O)=N/[C@@]([H])(CC(C)C)/C(O)=N/[C@@]([H])(CCC(=N)O)C(=O)N2CCC[C@@]2([H])C(=O)O)/N=C(/O)[C@]2([H])CCCN2C(=O)C/N=C(/O)[C@]2([H])CCCN2C(=O)[C@]([H])(CO)/N=C(/O)[C@]([H])(CO)/N=C(/O)[C@]([H])(CC(=N)O)/N=C(/O)[C@]2([H])CCCN2C(=O)[C@]([H])(CO)/N=C(/O)[C@]([H])(CO)/N=C(/O)[C@]([H])(CCC(=O)O)/N=C(/O)[C@]([H])(CO)/N=C(/O)[C@]([H])(CC(C)C)/N=C(/O)[C@]([H])(CO)/N=C(/O)[C@]([H])(CC(=O)O)/N=C(/O)[C@]([H])(C(C)C)/N=C(/O)[C@]([H])(CC(=O)O)/N=C(/O)[C@]([H])(C)/N=C(/O)[C@]([H])(CO)/N=C(/O)[C@]([H])(CCCNC(=N)N)/N=C(/O)[C@]([H])(CO)/N=C(/O)[C@]([H])(Cc2cncn2)/N=C\1O
InChIInChI=1S/C190H293N55O68S2/c1-90(2)63-109(157(280)216-108(42-47-139(195)258)183(306)245-62-24-36-137(245)189(312)313)219-158(281)110(64-91(3)4)220-160(283)112(66-96-37-39-99(256)40-38-96)222-167(290)118(76-246)208-141(260)74-202-151(274)103(43-48-143(262)263)211-161(284)114(68-98-73-200-89-205-98)223-171(294)125(83-253)232-179(302)133-32-18-56-239(133)182(305)107(26-12-14-52-192)215-155(278)104(41-46-138(194)257)213-177(300)134-33-21-59-242(134)187(310)136-35-23-61-244(136)188(311)135-34-22-60-243(135)181(304)95(10)207-152(275)101(25-11-13-51-191)209-154(277)106(45-50-145(266)267)214-176(299)131-30-20-58-241(131)186(309)128-87-315-314-86-100(193)150(273)218-113(67-97-72-199-88-204-97)162(285)229-120(78-248)168(291)210-102(27-15-53-201-190(197)198)153(276)226-119(77-247)166(289)206-94(9)149(272)217-117(71-147(270)271)165(288)236-148(93(7)8)180(303)225-116(70-146(268)269)164(287)231-122(80-250)170(293)221-111(65-92(5)6)159(282)228-121(79-249)169(292)212-105(44-49-144(264)265)156(279)227-123(81-251)172(295)234-127(85-255)185(308)240-57-19-31-132(240)178(301)224-115(69-140(196)259)163(286)230-124(82-252)173(296)233-126(84-254)184(307)238-55-17-28-129(238)174(297)203-75-142(261)237-54-16-29-130(237)175(298)235-128/h37-40,72-73,88-95,100-137,148,246-256H,11-36,41-71,74-87,191-193H2,1-10H3,(H2,194,257)(H2,195,258)(H2,196,259)(H,199,204)(H,200,205)(H,202,274)(H,203,297)(H,206,289)(H,207,275)(H,208,260)(H,209,277)(H,210,291)(H,211,284)(H,212,292)(H,213,300)(H,214,299)(H,215,278)(H,216,280)(H,217,272)(H,218,273)(H,219,281)(H,220,283)(H,221,293)(H,222,290)(H,223,294)(H,224,301)(H,225,303)(H,226,276)(H,227,279)(H,228,282)(H,229,285)(H,230,286)(H,231,287)(H,232,302)(H,233,296)(H,234,295)(H,235,298)(H,236,288)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,312,313)(H4,197,198,201)/t94-,95-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,148-/m0/s1
InChIKeyHSJJHNVPBLCAEH-PLGVNXRWSA-N
ChEBI Ontology
Outgoing Relation(s)
Adropin (34-76) (CHEBI:233311) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
1802086-30-1SUBMITTER
(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(6S,12S,15S,18S,21S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,63S,66S,69R,74R,77S)-69-amino-18-(2-amino-2-oxoethyl)-60-(3-carbamimidamidopropyl)-33-(2-carboxyethyl)-45,51-bis(carboxymethyl)-12,15,27,30,36,42,57,63-octakis(hydroxymethyl)-66-(1H-imidazol-4-ylmethyl)-54-methyl-39-(2-methylpropyl)-2,5,11,14,17,20,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,76-docosaoxo-48-propan-2-yl-71,72-dithia-1,4,10,13,16,19,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,75-docosazatetracyclo[75.3.0.06,10.021,25]octacontane-74-carbonyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acidSUBMITTER
Adropin (34-76) (human, mouse, rat) trifluoroacetate salt H-Cys-His-Ser-Arg-Ser-Ala-Asp-Val-Asp-Ser-Leu-Ser-Glu-Ser-Ser-Pro-Asn-Ser-Ser-Pro-Gly-Pro-Cys-Pro-Glu-Lys-Ala-Pro-Pro-Pro-Gln-Lys-Pro-Ser-His-Glu-Gly-Ser-Tyr-Leu-Leu-Gln-Pro-OH trifluoroacetate salt (Disulfide bond)SUBMITTER
Registry NumbersSources
CAS:1802086-30-1SUBMITTER