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gastrin-34

PropertiesImage
MNX_IDMNXM54776 Image of MNXM54776
referencechebi:75437
formulaC176H253N43O54S
global charge0
mol weight3867.274
InChIKeyFMIHGWZLPSIAFY-WGFKALLTSA-N
InChIInChI=1S/C176H253N43O54S/c1-89(2)70-116(205-149(245)103(179)45-53-132(180)222)152(248)189-85-137(227)215-64-23-36-127(215)169(265)203-109(47-55-134(182)224)151(247)188-86-138(228)217-66-27-40-131(217)175(271)219-68-26-39-130(219)171(267)210-122(77-99-82-183-88-190-99)165(261)207-118(72-91(5)6)167(263)214-146(92(7)8)173(269)192-94(10)148(244)211-124(79-145(241)242)174(270)218-67-25-38-129(218)172(268)213-126(87-220)168(264)195-107(35-20-22-63-178)155(251)194-106(34-19-21-62-177)156(252)196-108(46-54-133(181)223)150(246)187-84-136(226)216-65-24-37-128(216)170(266)209-121(76-98-81-185-105-33-18-16-31-102(98)105)164(260)206-117(71-90(3)4)162(258)201-114(52-60-143(237)238)160(256)200-113(51-59-142(235)236)159(255)199-112(50-58-141(233)234)158(254)198-111(49-57-140(231)232)157(253)197-110(48-56-139(229)230)154(250)191-93(9)147(243)204-119(73-96-41-43-100(221)44-42-96)153(249)186-83-135(225)193-120(75-97-80-184-104-32-17-15-30-101(97)104)163(259)202-115(61-69-274-11)161(257)208-123(78-144(239)240)166(262)212-125(176(272)273)74-95-28-13-12-14-29-95/h12-18,28-33,41-44,80-82,88-94,103,106-131,146,184-185,220-221H,19-27,34-40,45-79,83-87,177-179H2,1-11H3,(H2,180,222)(H2,181,223)(H2,182,224)(H,183,190)(H,186,249)(H,187,246)(H,188,247)(H,189,248)(H,191,250)(H,192,269)(H,193,225)(H,194,251)(H,195,264)(H,196,252)(H,197,253)(H,198,254)(H,199,255)(H,200,256)(H,201,258)(H,202,259)(H,203,265)(H,204,243)(H,205,245)(H,206,260)(H,207,261)(H,208,257)(H,209,266)(H,210,267)(H,211,244)(H,212,262)(H,213,268)(H,214,263)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,272,273)/t93-,94-,103-,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-,146-/m0/s1
SMILESCSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C176H253N43O54S/c1-89(2)70-116(205-149(245)103(179)45-53-132(180)222)152(248)189-85-137(227)215-64-23-36-127(215)169(265)203-109(47-55-134(182)224)151(247)188-86-138(228)217-66-27-40-131(217)175(271)219-68-26-39-130(219)171(267)210-122(77-99-82-183-88-190-99)165(261)207-118(72-91(5)6)167(263)214-146(92(7)8)173(269)192-94(10)148(244)211-124(79-145(241)242)174(270)218-67-25-38-129(218)172(268)213-126(87-220)168(264)195-107(35-20-22-63-178)155(251)194-106(34-19-21-62-177)156(252)196-108(46-54-133(181)223)150(246)187-84-136(226)216-65-24-37-128(216)170(266)209-121(76-98-81-185-105-33-18-16-31-102(98)105)164(260)206-117(71-90(3)4)162(258)201-114(52-60-143(237)238)160(256)200-113(51-59-142(235)236)159(255)199-112(50-58-141(233)234)158(254)198-111(49-57-140(231)232)157(253)197-110(48-56-139(229)230)154(250)191-93(9)147(243)204-119(73-96-41-43-100(221)44-42-96)153(249)186-83-135(225)193-120(75-97-80-184-104-32-17-15-30-101(97)104)163(259)202-115(61-69-274-11)161(257)208-123(78-144(239)240)166(262)212-125(176(272)273)74-95-28-13-12-14-29-95/h12-18,28-33,41-44,80-82,88-94,103,106-131,146,184-185,220-221H,19-27,34-40,45-79,83-87,177-179H2,1-11H3,(H2,180,222)(H2,181,223)(H2,182,224)(H,183,190)(H,186,249)(H,187,246)(H,188,247)(H,189,248)(H,191,250)(H,192,269)(H,193,225)(H,194,251)(H,195,264)(H,196,252)(H,197,253)(H,198,254)(H,199,255)(H,200,256)(H,201,258)(H,202,259)(H,203,265)(H,204,243)(H,205,245)(H,206,260)(H,207,261)(H,208,257)(H,209,266)(H,210,267)(H,211,244)(H,212,262)(H,213,268)(H,214,263)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,272,273)/t93-,94-,103-,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-,146-/m0/s1 Image of MNXM54776
SMILES (mnx)[CH3:1][CH:89]([CH3:2])[CH2:70][C@@H:116]([C:152](=[N:189][CH2:85][C:137]([N:215]1[CH2:64][CH2:23][CH2:36][C@H:127]1[C:169](=[N:203][C@@H:109]([CH2:47][CH2:55][C:134](=[NH:182])[OH:224])[C:151](=[N:188][CH2:86][C:138]([N:217]1[CH2:66][CH2:27][CH2:40][C@H:131]1[C:175]([N:219]1[CH2:68][CH2:26][CH2:39][C@H:130]1[C:171](=[N:210][C@@H:122]([CH2:77][C:99]1=[CH:82][N:183]=[CH:88][NH:190]1)[C:165](=[N:207][C@@H:118]([CH2:72][CH:91]([CH3:5])[CH3:6])[C:167](=[N:214][C@@H:146]([CH:92]([CH3:7])[CH3:8])[C:173](=[N:192][C@@H:94]([CH3:10])[C:148](=[N:211][C@@H:124]([CH2:79][C:145](=[O:241])[OH:242])[C:174]([N:218]1[CH2:67][CH2:25][CH2:38][C@H:129]1[C:172](=[N:213][C@@H:126]([CH2:87][OH:220])[C:168](=[N:195][C@@H:107]([CH2:35][CH2:20][CH2:22][CH2:63][NH2:178])[C:155](=[N:194][C@@H:106]([CH2:34][CH2:19][CH2:21][CH2:62][NH2:177])[C:156](=[N:196][C@@H:108]([CH2:46][CH2:54][C:133](=[NH:181])[OH:223])[C:150](=[N:187][CH2:84][C:136]([N:216]1[CH2:65][CH2:24][CH2:37][C@H:128]1[C:170](=[N:209][C@@H:121]([CH2:76][C:98]1=[CH:81][NH:185][C:105]2=[CH:33][CH:18]=[CH:16][CH:31]=[C:102]12)[C:164](=[N:206][C@@H:117]([CH2:71][CH:90]([CH3:3])[CH3:4])[C:162](=[N:201][C@@H:114]([CH2:52][CH2:60][C:143](=[O:237])[OH:238])[C:160](=[N:200][C@@H:113]([CH2:51][CH2:59][C:142](=[O:235])[OH:236])[C:159](=[N:199][C@@H:112]([CH2:50][CH2:58][C:141](=[O:233])[OH:234])[C:158](=[N:198][C@@H:111]([CH2:49][CH2:57][C:140](=[O:231])[OH:232])[C:157](=[N:197][C@@H:110]([CH2:48][CH2:56][C:139](=[O:229])[OH:230])[C:154](=[N:191][C@@H:93]([CH3:9])[C:147](=[N:204][C@@H:119]([CH2:73][C:96]1=[CH:42][CH:44]=[C:100]([OH:221])[CH:43]=[CH:41]1)[C:153](=[N:186][CH2:83][C:135](=[N:193][C@@H:120]([CH2:75][C:97]1=[CH:80][NH:184][C:104]2=[CH:32][CH:17]=[CH:15][CH:30]=[C:101]12)[C:163](=[N:202][C@@H:115]([CH2:61][CH2:69][S:274][CH3:11])[C:161](=[N:208][C@@H:123]([CH2:78][C:144](=[O:239])[OH:240])[C:166](=[N:212][C@@H:125]([CH2:74][C:95]1=[CH:28][CH:13]=[CH:12][CH:14]=[CH:29]1)[C:176](=[O:272])[OH:273])[OH:262])[OH:257])[OH:259])[OH:225])[OH:249])[OH:243])[OH:250])[OH:253])[OH:254])[OH:255])[OH:256])[OH:258])[OH:260])[OH:266])=[O:226])[OH:246])[OH:252])[OH:251])[OH:264])[OH:268])=[O:270])[OH:244])[OH:269])[OH:263])[OH:261])[OH:267])=[O:271])=[O:228])[OH:247])[OH:265])=[O:227])[OH:248])[N:205]=[C:149]([C@H:103]([CH2:45][CH2:53][C:132](=[NH:180])[OH:222])[NH2:179])[OH:245]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75437
chebi:75437
FMIHGWZLPSIAFY-WGFKALLTSA-N
gastrin-34
Big gastrin
Gln-Leu-Gly-Pro-Gln-Gly-Pro-Pro-His-Leu-Val-Ala-Asp-Pro-Ser-Lys-Lys-Gln-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe
L-glutaminyl-L-leucylglycyl-L-prolyl-L-glutaminylglycyl-L-prolyl-L-prolyl-L-histidyl-L-leucyl-L-valyl-L-alanyl-L-alpha-aspartyl-L-prolyl-L-seryl-L-lysyl-L-lysyl-L-glutaminylglycyl-L-prolyl-L-tryptophyl-L-leucyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alanyl-L-tyrosylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalanine
QLGPQGPPHLVADPSKKQGPWLEEEEEAYGWMAF
hmdb:HMDB0252645
FMIHGWZLPSIAFY-UHFFFAOYSA-N
Gastrin-34

seed.compound:cpd19457
seedM:cpd19457
kegg.compound:C18187
keggC:C18187
Gastrin-34
Big gastrin

keggC:M_C18187
seedM:M_cpd19457
secondary/obsolete/fantasy identifier