ChEBI Mrv0541 06061411072D 41 40 0 0 1 0 999 V2000 13.7791 -8.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4935 -8.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3502 -8.4029 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.2067 -8.8154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4923 -8.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9211 -8.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0632 -8.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0645 -8.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -8.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7778 -8.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6357 -8.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3489 -8.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2080 -8.4029 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0341 -7.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3502 -7.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2080 -7.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2068 -9.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3502 -9.2277 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.9226 -7.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6344 -8.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -8.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2054 -8.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -8.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 -8.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0621 -8.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 -8.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0621 -7.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 -7.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -7.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2054 -7.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9199 -7.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6344 -7.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 -7.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4923 -10.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 -9.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0635 -10.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3490 -9.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6346 -10.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6346 -10.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4923 -10.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9201 -9.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 15 3 2 0 0 0 0 3 18 1 0 0 0 0 4 17 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 14 7 2 0 0 0 0 1 8 1 0 0 0 0 8 3 1 0 0 0 0 7 10 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 3 11 1 0 0 0 0 12 7 1 0 0 0 0 9 13 1 0 0 0 0 13 2 1 0 0 0 0 16 13 1 0 0 0 0 13 19 1 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 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 33 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 31 32 1 0 0 0 0 26 33 1 0 0 0 0 17 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 2 0 0 0 0 34 40 2 0 0 0 0 38 41 1 0 0 0 0 M CHG 2 13 1 18 -1 M END > CHEBI:77890 > 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine > A 1,2-diacyl-sn-glycero-3-phosphocholine having palmitoyl and 5-oxovaleryl groups at the 1- and 2-positions respectively; major species at pH 7.3. > 3 > POVPC; PC(16:0/5:0(CHO)); 1-Palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphorylcholine; 1-hexadecanoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphocholine; 1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine zwitterion; 1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine; (2R)-2-[(5-oxopentanoyl)oxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate > (2R)-3-(hexadecanoyloxy)-2-[(5-oxopentanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate > C29H56NO9P > 593.73000 > 593.36927 > 0 > CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC=O > InChI=1S/C29H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(32)36-25-27(39-29(33)21-18-19-23-31)26-38-40(34,35)37-24-22-30(2,3)4/h23,27H,5-22,24-26H2,1-4H3/t27-/m1/s1 > RKIDALSACBQVTN-HHHXNRCGSA-N > 15471652 > LMGP20010005 > 16386258; 16904371; 22958747; 23936132; 24079413; 24890951 $$$$