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CHEBI:220750 - Deepginsen

ChEBI IDCHEBI:220750
ChEBI NameDeepginsen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC89H119N17O22S2
Net Charge0
Average Mass1843.162
Monoisotopic Mass1841.81570
SMILESC=C1NC(=O)C(C(C)CC)NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)/C(=C/C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(=O)CC)C(C)SCC(C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC2C(=O)NC(Cc3ccccc3)C(=O)NC(CC3=CCc4ccccc43)C(=O)NC(C(C)C)C(=O)NC(C(=O)O)CSC2C)NC1=O
InChIInChI=1S/C89H119N17O22S2/c1-12-47(8)71-85(123)92-48(9)74(112)100-63(43-129-49(10)72(86(124)95-58(33-35-67(90)108)77(115)96-60(80(118)103-71)40-52-26-19-16-20-27-52)104-76(114)56(13-2)94-82(120)65-30-23-37-106(65)88(126)62(38-45(4)5)99-83(121)66(107)14-3)75(113)91-42-68(109)93-57(34-36-69(110)111)78(116)105-73-50(11)130-44-64(89(127)128)101-84(122)70(46(6)7)102-81(119)61(41-54-32-31-53-28-21-22-29-55(53)54)97-79(117)59(98-87(73)125)39-51-24-17-15-18-25-51/h13,15-22,24-29,32,45-47,49-50,57-65,70-73H,9,12,14,23,30-31,33-44H2,1-8,10-11H3,(H2,90,108)(H,91,113)(H,92,123)(H,93,109)(H,94,120)(H,95,124)(H,96,115)(H,97,117)(H,98,125)(H,99,121)(H,100,112)(H,101,122)(H,102,119)(H,103,118)(H,104,114)(H,105,116)(H,110,111)(H,127,128)/b56-13-
InChIKeyKGZJIYKBYDAKME-YMWDABETSA-N
Species of MetaboliteComponentSourceComments
Flavobacterium (ncbitaxon:237) - PubMed (31871149)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Deepginsen (CHEBI:220750) is a polypeptide (CHEBI:15841)