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CHEBI:219620 - Actinokineosin

ChEBI IDCHEBI:219620
ChEBI NameActinokineosin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC103H131N23O26
Net Charge0
Average Mass2107.316
Monoisotopic Mass2105.96356
SMILESCCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C1CC(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2cnc3ccccc23)C(=O)NC(CC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1)C(C)CC)C(C)O)C(=O)NCC(=O)O
InChIInChI=1S/C103H131N23O26/c1-6-55(3)86(99(149)112-54-85(137)138)123-96(146)72(43-60-25-15-10-16-26-60)122-101(151)88(57(5)127)125-95(145)70(44-61-31-35-64(128)36-32-61)113-82(133)53-110-81(132)51-111-89(139)69(41-58-21-11-8-12-22-58)121-100(150)87(56(4)7-2)124-97(147)75-48-80(131)109-52-83(134)114-77(45-62-33-37-65(129)38-34-62)102(152)126-40-20-30-78(126)98(148)120-71(42-59-23-13-9-14-24-59)91(141)116-73(46-63-50-108-67-28-18-17-27-66(63)67)92(142)119-76(49-84(135)136)94(144)117-74(47-79(104)130)93(143)115-68(90(140)118-75)29-19-39-107-103(105)106/h8-18,21-28,31-38,50,55-57,68-78,86-88,108,127-129H,6-7,19-20,29-30,39-49,51-54H2,1-5H3,(H2,104,130)(H,109,131)(H,110,132)(H,111,139)(H,112,149)(H,113,133)(H,114,134)(H,115,143)(H,116,141)(H,117,144)(H,118,140)(H,119,142)(H,120,148)(H,121,150)(H,122,151)(H,123,146)(H,124,147)(H,125,145)(H,135,136)(H,137,138)(H4,105,106,107)
InChIKeyFGFDHTMRQUJDFE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinokineosporaspecieseciospongiae (ncbitaxon:909613) - PubMed (27813109)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Actinokineosin (CHEBI:219620) is a peptide (CHEBI:16670)
IUPAC Name 
2-[16-(2-amino-2-oxoethyl)-25-benzyl-13-(3-carbamimidamidopropyl)-10-[[1-[[1-[[2-[[2-[[1-[[1-[[1-[[1-(carboxymethylamino)-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-[(4-hydroxyphenyl)methyl]-22-(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]hentriacontan-19-yl]acetic acid