CHEBI:29619 - Liposidomycin B

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ChEBI Name Liposidomycin B
ChEBI ID CHEBI:29619
Stars This entity has been manually annotated by a third party.
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Formula C42H67N5O21S
Net Charge 0
Average Mass 1010.070
Monoisotopic Mass 1009.40493
InChI InChI=1S/C42H67N5O21S/c1-21(2)12-10-8-6-7-9-11-13-23(63-28(51)17-22(3)16-27(49)50)18-29(52)64-25-20-45(4)31(38(56)46(5)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(19-43)65-41)36-33(54)34(55)39(66-36)47-15-14-26(48)44-42(47)59/h14-15,21-25,30-37,39,41,53-55H,6-13,16-20,43H2,1-5H3,(H,49,50)(H,57,58)(H,44,48,59)(H,60,61,62)/t22?,23?,24-,25?,30?,31?,32-,33+,34-,35?,36+,37-,39-,41+/m1/s1
InChIKey LGBOBVYRTQDYBA-ZUGGQKJLSA-N
SMILES CC(C)CCCCCCCCC(CC(=O)OC1CN(C)C(C(O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2OS(O)(=O)=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)C(=O)N(C)C1C(O)=O)OC(=O)CC(C)CC(O)=O
ChEBI Ontology
Outgoing Liposidomycin B (CHEBI:29619) has functional parent tetracarboxylic acid (CHEBI:35742)
Liposidomycin B (CHEBI:29619) is a organooxygen compound (CHEBI:36963)
Synonym Source
Liposidomycin B KEGG COMPOUND
Manual Xrefs Databases
C00017728 KNApSAcK
C12006 KEGG COMPOUND
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Last Modified
28 July 2014