Marvin 05121011182D 41 42 0 0 1 0 999 V2000 3.5724 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.2171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.1954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.0204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -2.2579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -3.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -3.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -4.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -5.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -4.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -3.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 -3.6530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 -4.9878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1275 -4.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -2.6704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -5.9704 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4290 -6.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -6.3829 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5725 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 20 1 1 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 5 21 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 30 29 2 0 0 0 0 29 28 1 0 0 0 0 28 31 2 0 0 0 0 31 32 1 0 0 0 0 30 32 1 0 0 0 0 24 33 1 0 0 0 0 27 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 22 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 33 1 0 0 0 0 M CHG 2 34 1 36 -1 M END > CHEBI:59429 > N-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}sphingosine > An N-acylsphingosine that is sphingosine with the amino nitrogen converted into a 6-{[N-(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]}hexananamido group. > 3 > Nbd-ceramide; NBD-C6-Cer; N-(7-(4-Nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproyl sphingosine; C6-Nbd-ceramide; C6-Nbd-cer; 6-((N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)hexanoyl)sphingosine > C30H49N5O6 > 575.74000 > 575.36828 > 0 > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCNc1ccc([N+]([O-])=O)c2nonc12 > InChI=1S/C30H49N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-27(37)25(23-36)32-28(38)19-16-14-17-22-31-24-20-21-26(35(39)40)30-29(24)33-41-34-30/h15,18,20-21,25,27,31,36-37H,2-14,16-17,19,22-23H2,1H3,(H,32,38)/b18-15+/t25-,27+/m0/s1 > HZIRBXILQRLFIK-VPZZKNKNSA-N > 9681619 > 86701-10-2 > 86701-10-2 > 14551186; 14706743 $$$$