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ADSGEGDFXAEGGGVR*

PropertiesImage
MNX_IDMNXM8611 Image of MNXM8611
referencechebi:233894
formulaC63H97N19O26
global charge0
mol weight1536.576
InChIKeyJWICNZAGYSIBAR-UHFFFAOYSA-N
InChIInChI=1S/C63H97N19O26/c1-29(2)19-37(57(102)73-32(6)53(98)76-35(15-17-48(91)92)55(100)70-24-43(85)68-23-42(84)69-25-46(88)82-51(30(3)4)61(106)77-36(62(107)108)13-10-18-67-63(65)66)79-58(103)38(20-33-11-8-7-9-12-33)80-59(104)39(21-49(93)94)75-45(87)27-71-54(99)34(14-16-47(89)90)74-44(86)26-72-56(101)41(28-83)81-60(105)40(22-50(95)96)78-52(97)31(5)64/h7-9,11-12,29-32,34-41,51,83H,10,13-28,64H2,1-6H3,(H,68,85)(H,69,84)(H,70,100)(H,71,99)(H,72,101)(H,73,102)(H,74,86)(H,75,87)(H,76,98)(H,77,106)(H,78,97)(H,79,103)(H,80,104)(H,81,105)(H,82,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,107,108)(H4,65,66,67)
SMILESCC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C)N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)C
MNX internals
InChI (mnx)InChI=1/C63H97N19O26/c1-29(2)19-37(57(102)73-32(6)53(98)76-35(15-17-48(91)92)55(100)70-24-43(85)68-23-42(84)69-25-46(88)82-51(30(3)4)61(106)77-36(62(107)108)13-10-18-67-63(65)66)79-58(103)38(20-33-11-8-7-9-12-33)80-59(104)39(21-49(93)94)75-45(87)27-71-54(99)34(14-16-47(89)90)74-44(86)26-72-56(101)41(28-83)81-60(105)40(22-50(95)96)78-52(97)31(5)64/h7-9,11-12,29-32,34-41,51,83H,10,13-28,64H2,1-6H3,(H,68,85)(H,69,84)(H,70,100)(H,71,99)(H,72,101)(H,73,102)(H,74,86)(H,75,87)(H,76,98)(H,77,106)(H,78,97)(H,79,103)(H,80,104)(H,81,105)(H,82,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,107,108)(H4,65,66,67)/t31?,32?,34?,35?,36?,37?,38?,39?,40?,41?,51? Image of MNXM8611
SMILES (mnx)[CH3:1][CH:29]([CH3:2])[CH2:19][CH:37]([C:57](=[N:73][CH:32]([CH3:6])[C:53](=[N:76][CH:35]([CH2:15][CH2:17][C:48](=[O:91])[OH:92])[C:55](=[N:70][CH2:24][C:43](=[N:68][CH2:23][C:42](=[N:69][CH2:25][C:46](=[N:82][CH:51]([CH:30]([CH3:3])[CH3:4])[C:61](=[N:77][CH:36]([CH2:13][CH2:10][CH2:18][NH:67][C:63](=[NH:65])[NH2:66])[C:62](=[O:107])[OH:108])[OH:106])[OH:88])[OH:84])[OH:85])[OH:100])[OH:98])[OH:102])[N:79]=[C:58]([CH:38]([CH2:20][C:33]1=[CH:11][CH:8]=[CH:7][CH:9]=[CH:12]1)[N:80]=[C:59]([CH:39]([CH2:21][C:49](=[O:93])[OH:94])[N:75]=[C:45]([CH2:27][N:71]=[C:54]([CH:34]([CH2:14][CH2:16][C:47](=[O:89])[OH:90])[N:74]=[C:44]([CH2:26][N:72]=[C:56]([CH:41]([CH2:28][OH:83])[N:81]=[C:60]([CH:40]([CH2:22][C:50](=[O:95])[OH:96])[N:78]=[C:52]([CH:31]([CH3:5])[NH2:64])[OH:97])[OH:105])[OH:101])[OH:86])[OH:99])[OH:87])[OH:104])[OH:103]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:233894
chebi:233894
JWICNZAGYSIBAR-UHFFFAOYSA-N 		ADSGEGDFXAEGGGVR*
4-[[2-[[2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-[[2-[[3-carboxy-1-[[1-[[1-[[1-[[4-carboxy-1-[[2-[[2-[[2-[[1-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

seed.compound:cpd11787
seedM:cpd11787
sabiork.compound:5332
sabiorkM:5332
kegg.compound:C00952
keggC:C00952
JWICNZAGYSIBAR-UHFFFAOYSA-N 		Fibrinopeptide A
hmdb:HMDB0245698
JWICNZAGYSIBAR-UHFFFAOYSA-N 		Fibrinopeptide A human
4-(2-{2-[2-(2-aminopropanamido)-3-carboxypropanamido]-3-hydroxypropanamido}acetamido)-4-{[({2-carboxy-1-[(1-{[1-({1-[(3-carboxy-1-{[({[({[1-({1-carboxy-4-[(diaminomethylidene)amino]butyl}carbamoyl)-2-methylpropyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}propyl)carbamoyl]ethyl}carbamoyl)-3-methylbutyl]carbamoyl}-2-phenylethyl)carbamoyl]ethyl}carbamoyl)methyl]carbamoyl}butanoic acid

seed.compound:cpd27070
seedM:cpd27070 		Fibrinopeptide-A

metacyc.compound:Fibrinopeptide-A
metacycM:Fibrinopeptide-A 		a fibrinopeptide A

keggC:M_C00952
seedM:M_cpd11787
seedM:M_cpd27070 		secondary/obsolete/fantasy identifier