CHEBI:75267 - pipacycline(1+)

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ChEBI Name pipacycline(1+)
ChEBI ID CHEBI:75267
Definition An organic cation that is the conjugate acid of pipacycline.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H39N4O9
Net Charge +1
Average Mass 587.64140
Monoisotopic Mass 587.27116
InChI InChI=1S/C29H38N4O9/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40)/p+1/t16-,17-,22-,28+,29-/m0/s1
InChIKey XATZHCXBMKRRDO-REHNUXHNSA-O
SMILES [H+].[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C
ChEBI Ontology
Outgoing pipacycline(1+) (CHEBI:75267) is a organic cation (CHEBI:25697)
pipacycline(1+) (CHEBI:75267) is conjugate acid of pipacycline (CHEBI:75262)
Incoming penimepicycline (CHEBI:75258) has part pipacycline(1+) (CHEBI:75267)
pipacycline (CHEBI:75262) is conjugate base of pipacycline(1+) (CHEBI:75267)
Synonym Source
pipacycline cation ChEBI
Last Modified
20 August 2013