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CMDB ID
CAS
中文名英文名别名分子式分子量IUPAC名称SMILES结构保存地点保存条件样品来源规格分子生物数据临床数据图谱
597-44-4
柠苹酸Citramalic acid(+-)-2-Hydroxy-2-methylsuccinic acid; 2-Hydroxy-2-methylsuccinic acid; (b)-2-Methylmalate; CitramalateC5H8O5148.112-hydroxy-2-methylbutanedioic acidCC(O)(CC(O)=O)C(O)=O查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
621-82-9
肉桂酸Cinnamic acid(2Z)-3-Phenyl-2-propenoic acid; (2Z)-3-Phenylacrylic acid; cis-beta-Carboxystyrene; CinnamateC9H8O2148.16(2Z)-3-phenylprop-2-enoic acidOC(=O)\C=C/C1=CC=CC=C1查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
LysoPC(14:0)LysoPC(14:0)1-Myristoyl-glycero-3-phosphocholine; 1-Tetradecanoyl-sn-glycero-3-phosphocholine; LPC(14:0/0:0) C22H46NO7P467.58(2-{[(2R)-2-hydroxy-3-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
124505-87-9
戊糖素Pentosidine 4H-Imidazo[4,5-b]pyridine-4-hexanoicacid,a-amino-2-[[(4S)-4-amino-4-carboxybutyl]amino]-,(aS) | Pentosidine | (2S)-2-amino-6-[2-[[(4S)-4-amino-4-carboxybutyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acidC17H26N6O4378.43(2S)-2-amino-6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acidN[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
20064-29-3
Nervonyl carnitinetrimethyl-propyl-ammonium cation | 1-Propanaminium,N,N,N-trimethyl | Propyl-trimethylammonium | Trimethyl-propyl-ammonium | Trimethyl-n-propylammonium | Nervonyl carnitine | N,N,N-TrimethylbutylammoniumC6H16N102.2trimethyl(propyl)azaniumCCC[N+](C)(C)C查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
79-09-4
丙酸PropionatePropanoic acid Propanyl acid 初油酸CH3CH2COOH74.08propanoic acidCCC(O)=O查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
56-81-5
甘油Glycerin1,2,3-丙三醇 丙三醇 HOCH2CH(OH)CH2OH 92.09propane-1,2,3-triolOCC(O)CO查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
14863-27-5
溶血卵磷脂(16:0)1-hexadecanoyl-sn-glycero-3-phosphocholine16:0 Lyso PCC24H50NO7P495.63药物所张金兰课题组后四-80℃冰箱(外)- 80℃Avanti查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
溶血磷脂酸(14:0 )L-a-lysophosphatidylcholine14:0 Lyso PAC22H46NO7P467.5769(2-{[(2R)-2-hydroxy-3-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
14863-27-5
溶血磷脂酸(16:0 )1-hexadecanoyl-sn-glycero-3-phosphate (sodium salt)16:0 Lyso PAC24H50NO7P495.63(2-{[(2R)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazanium[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C药物所张金兰课题组后四-80℃冰箱(外)- 80℃Avanti查看实体来源 生物功能 通路 预测物化性质 异常浓度 正常浓度 相关疾病 药物疗效 HPLC NMR MS 
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