EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232575 - henicosanoyl-CoA(4−)

Default Structure
ChEBI IDCHEBI:232575
ChEBI Namehenicosanoyl-CoA(4−)
Stars
ASCII Namehenicosanoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC42H72N7O17P3S
Net Charge-4
Average Mass1072.059
Monoisotopic Mass1071.39402
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C42H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(51)70-26-25-44-32(50)23-24-45-40(54)37(53)42(2,3)28-63-69(60,61)66-68(58,59)62-27-31-36(65-67(55,56)57)35(52)41(64-31)49-30-48-34-38(43)46-29-47-39(34)49/h29-31,35-37,41,52-53H,4-28H2,1-3H3,(H,44,50)(H,45,54)(H,58,59)(H,60,61)(H2,43,46,47)(H2,55,56,57)/p-4/t31-,35-,36-,37+,41-/m1/s1
InChIKeyXMBMBMSJLOFTBI-VPRYAHRDSA-J
ChEBI Ontology
Outgoing Relation(s)
henicosanoyl-CoA(4−) (CHEBI:232575) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
henicosanoyl-CoA(4−) (CHEBI:232575) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
Synonym  Source
C21:0-CoA(4−)SUBMITTER
UniProt Name  Source
heneicosanoyl-CoAUniProt