CHEBI:205248 - Propeptin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Propeptin
ChEBI ID CHEBI:205248
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C113H142N26O27
Net Charge 0
Average Mass 2296.534
Monoisotopic Mass 2295.05377
InChI InChI=1S/C113H142N26O27/c1-6-61(4)95(108(161)135-87(58-140)111(164)139-41-19-30-89(139)112(165)166)136-105(158)80(44-64-22-11-8-12-23-64)134-109(162)96(62(5)141)137-106(159)83(49-69-54-116-59-123-69)124-92(146)57-121-91(145)55-122-97(150)78(43-63-20-9-7-10-21-63)128-99(152)77(42-60(2)3)127-103(156)84-50-90(144)120-56-93(147)125-86(46-66-33-37-71(143)38-34-66)110(163)138-40-18-29-88(138)107(160)133-82(48-68-53-119-75-27-16-14-25-73(68)75)102(155)130-81(47-67-52-118-74-26-15-13-24-72(67)74)101(154)132-85(51-94(148)149)104(157)129-79(45-65-31-35-70(142)36-32-65)100(153)126-76(98(151)131-84)28-17-39-117-113(114)115/h7-16,20-27,31-38,52-54,59-62,76-89,95-96,118-119,140-143H,6,17-19,28-30,39-51,55-58H2,1-5H3,(H,116,123)(H,120,144)(H,121,145)(H,122,150)(H,124,146)(H,125,147)(H,126,153)(H,127,156)(H,128,152)(H,129,157)(H,130,155)(H,131,151)(H,132,154)(H,133,160)(H,134,162)(H,135,161)(H,136,158)(H,137,159)(H,148,149)(H,165,166)(H4,114,115,117)
InChIKey VIRBPQIAVNKZST-UHFFFAOYSA-N
SMILES O=C1N2C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC3=CC=C(O)C=C3)C(NC(C(NC(CC(NCC(NC1CC4=CC=C(O)C=C4)=O)=O)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N5C(C(=O)O)CCC5)CO)C(CC)C)CC6=CC=CC=C6)C(O)C)CC=7N=CNC7)CC8=CC=CC=C8)CC(C)C)=O)CCCNC(=N)N)=O)CC(=O)O)CC=9C%10=C(C=CC=C%10)NC9)CC=%11C%12=C(C=CC=C%12)NC%11)CCC2
Metabolite of Species Details
Microbisporaspecies (NCBI:txid1898321) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Propeptin (CHEBI:205248) is a polypeptide (CHEBI:15841)
IUPAC Name
1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[13-(3-carbamimidamidopropyl)-19-(carboxymethyl)-3,16-bis[(4-hydroxyphenyl)methyl]-22,25-bis(1H-indol-3-ylmethyl)-2,5,8,12,15,18,21,24,27-nonaoxo-1,4,7,11,14,17,20,23,26-nonazabicyclo[26.3.0]hentriacontane-10-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
Manual Xref Database
78444106 ChemSpider
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