External References (26)
Cas registry number
6976-37-0
Chebi id
41250
Chemspider id
73505
Cosing number
54697
Dsstox compound identifier
DTXCID0046563
Dsstox substance id
DTXSID6064537
Ec number
230-237-7
Echa substance infocard id
100.027.489
Freebase id
/m/0dmb7b
Gmelin number
4519
Human metabolome database id
HMDB0249241
Iedb epitope id
161731
Inchi
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
Inchikey
OWMVSZAMULFTJU-UHFFFAOYSA-N
Kbpedia id
Bis-trisMethane
Mesh descriptor id
C026272
Nsc number
24868, 119932
Pdb ligand id
BTB
Pdb structure id
2XGX, 5H9A, 3EHU, 3VII, 3GTA, 2YOB, 3SNG, 4I42, 4FB7, 4ESQ, 2NUI, 3QKJ, 2RI0, 4B7F, 4B7H, 1TW6, 3ZXJ, 3CAK, 2IC5, 4MQL, 3UKW, 3GR8, 5FLW, 3F6W, 5G6Q, 4JQU, 1R64, 3NDY, 4YHS, 4O7P, 4AS2, 4AS3, 3M07, 1XA4, 1XA3, 3GG4, 5J1T, 3HVJ, 5B68, 2EI5, 3V4N, 4WQM, 2YKK, 4P7C, 4NOG, 3Q58, 3BD3, 3BD5, 3BD4, 3F7H, 3F7I, 4Z28, 5G6N, 4FR8, 1AG9, 4AYO, 5DJE, 3ZY4, 3ZY5, 4ODO, 3PG0, 3UWD, 4V12, 4NE4, 4BJ3, 4DUN, 3IB7, 3IB8, 5DJ9, 3FZ0, 2RI1, 5EUV, 2HVR, 2HVS, 2YHG, 3M49, 2I3I, 2F07, 3QRG, 2ONH, 2ONG, 3LLR, 5A4K, 5JC8, 3ICV, 3OOU, 5JX2, 1RJ4, 4EHI, 2E3V, 4ZG8, 4Q7G, 4F1M, 3IQT, 3ZMR, 4O8N, 3UVK, 3IAQ, 2OQL, 3R9A, 4D1O, 3NA5, 2W1S, 4MYM, 4L0G, 2XU3, 2C5A, 2C59, 3M3O, 4TT8, 2Y3Q, 4DUV, 5EQC, 2W1Q, 3IAP, 4ZFO, 5LQU, 2OB3, 4PQ9, 2BIB, 3LIA, 3LRK, 5T1P, 2I3H, 2I3A, 3QW0, 4G2V, 1VCL, 4D1P, 5DO8, 2XIJ, 3IE2, 2V3F, 3P8A, 3DHI, 3DHH, 4R8V, 4TXT, 5G68, 4AWN, 3LI9, 2VN7, 2VN4, 2I3G, 5EAM, 3UTP, 4KYO, 1JZ3, 1JZ2, 1N1Z
Probes and drugs id
PD069504
Pubchem cid
81462
Reaxys registry number
2205275
Surechembl id
35757
Umls cui
C0053809
Unichem compound id
647084
Unii
Q1XC3631CP