Ketcher 03151613562D 1 1.00000 0.00000 0 43 42 0 1 0 999 V2000 11.0840 -3.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2177 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3517 -3.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8159 -3.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9498 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5481 -3.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6819 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4141 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2799 -3.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1461 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4141 -1.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2799 -4.4109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4857 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6199 -3.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7538 -2.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 -3.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0216 -2.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1556 -3.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0122 -3.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 -4.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1460 -4.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1460 -5.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0120 -4.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2799 -6.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4140 -5.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5478 -6.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6818 -5.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8155 -6.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9500 -5.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0837 -6.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2177 -5.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3516 -6.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4857 -5.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6194 -6.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6813 -7.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8154 -7.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9494 -7.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0834 -7.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2171 -7.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3513 -7.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4853 -7.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6194 -7.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5475 -7.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 5 4 1 0 0 0 1 5 1 0 0 0 7 6 2 0 0 0 4 7 1 0 0 0 8 6 1 0 0 0 8 11 1 1 0 0 8 9 1 0 0 0 9 12 1 6 0 0 9 10 1 0 0 0 3 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 10 19 1 0 0 0 16 20 1 0 0 0 12 21 1 0 0 0 21 22 1 0 0 0 21 23 2 0 0 0 22 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 34 42 1 0 0 0 35 43 1 0 0 0 M END > CHEBI:131538 > N-docosanoyl-14-methylhexadecasphingosine > A ceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans. > 3 > N-docosanoyl-14-methylhexadecasphing-4-enine; Cer 39:1;3; Cer (d17:1;3/22:0) > N-[(2S,3R,4E)-1,3-dihydroxy-14-methylhexadec-4-en-2-yl]docosanamide > C39H77NO3 > 608.035 > 607.59035 > 0 > C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO > InChI=1S/C39H77NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-22-21-23-26-29-32-36(3)5-2/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t36?,37-,38+/m0/s1 > WHOQLMXMWKNQQT-RLKRFJBVSA-N > 23894595 $$$$