Structure Database (LMSD)

Common Name
cis-tetradec-5-enoyl-CoA
Systematic Name
5Z-tetradecenoyl-CoA
Synonyms
  • (cis-Delta(5))-tetradecanoyl-CoA
  • (cis-Delta(5))-tetradecanoyl-coenzyme A
  • 14:1(n-9)-CoA
  • 5Z-tetradecenoyl-CoA
  • 5Z-tetradecenoyl-coenzyme A
  • C14:1(n-9)-CoA
  • Z-tetradec-5-enoyl-CoA
  • Z-tetradec-5-enoyl-coenzyme A
  • cis-5-tetradecenoyl-CoA
  • cis-5-tetradecenoyl-coenzyme A
  • cis-tetradec-5-enoyl-coenzyme A
LM ID
LMFA07050305
Formula
Exact Mass
Calculate m/z
975.297934
Sum Composition
Status
Active

Classification

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
MRVDZOHJMLTLHJ-STFCKWFXSA-N
InChi (Click to copy)
InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-12,22-24,28-30,34,45-46H,4-10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11-/t24-,28-,29-,30+,34-/m1/s1
SMILES (Click to copy)
[C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC/C=C\CCCCCCCC)C)O1)N1C=NC2C(N)=NC=NC1=2

Other Databases

HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 63
Rings 3
Aromatic Rings 2
Rotatable Bonds 31
Van der Waals Molecular Volume 838.49
Topological Polar Surface Area 365.70
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 21
logP 6.39
Molar Refractivity 232.03

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Created at
-
Updated at
25th Apr 2022