Marvin 04101311162D 44 43 0 0 0 0 999 V2000 4.9787 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4076 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -11.8979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2654 -12.3104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9800 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -11.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -13.1356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -12.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 -11.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -12.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -11.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -12.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -11.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 -12.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9799 -14.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5509 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8365 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4075 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5496 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -12.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7372 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3095 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7385 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 5 4 1 0 0 0 0 1 5 1 0 0 0 0 7 6 2 0 0 0 0 4 7 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 1 0 0 0 8 9 1 0 0 0 0 9 12 1 6 0 0 0 9 10 1 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 10 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 M END > CHEBI:72966 > N-docosanoylsphingosine > A N-acylsphingosine in which the ceramide N-acyl group is specified as docosanoyl. > 3 > N-docosanoylsphing-4-enine; N-behenoylsphingosine; N-(docosanoyl)sphing-4-enine; N-(docosanoyl)ceramide; N-(docosanoyl)-sphing-4-enine; Ceramide (d18:1/22:0); Cer(d18:1/22:0); C22 Cer > N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide > C40H79NO3 > 622.06020 > 621.60600 > 0 > CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC > InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1 > KEPQASGDXIEOIL-GLQCRSEXSA-N > 7317372 > LMSP02010008 $$$$