CHEBI:211261 - Galacardin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Galacardin A
ChEBI ID CHEBI:211261
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C101H121Cl2N9O46
Net Charge 0
Average Mass 2268.000
Monoisotopic Mass 2265.67827
InChI InChI=1S/C101H121Cl2N9O46/c1-32-70(120)48(104)26-60(143-32)154-87-39-11-18-52(47(103)21-39)148-55-23-40-22-54(88(55)158-101-89(79(129)75(125)59(31-116)153-101)155-61-27-49(105)71(121)33(2)144-61)146-42-14-7-36(8-15-42)86(157-100-83(133)78(128)74(124)58(30-115)152-100)68(111-90(135)63(106-4)35-5-12-43(13-6-35)147-97-84(134)80(130)85(34(3)145-97)156-99-82(132)77(127)73(123)57(29-114)151-99)94(139)108-65(38-10-17-53(46(102)20-38)149-98-81(131)76(126)72(122)56(28-113)150-98)91(136)109-66(40)93(138)107-64-37-9-16-50(118)44(19-37)62-45(24-41(117)25-51(62)119)67(96(141)142)110-95(140)69(87)112-92(64)137/h5-25,32-34,48-49,56-61,63-87,89,97-101,106,113-134H,26-31,104-105H2,1-4H3,(H,107,138)(H,108,139)(H,109,136)(H,110,140)(H,111,135)(H,112,137)(H,141,142)
InChIKey VZHGBVYVAUUUAQ-UHFFFAOYSA-N
SMILES ClC1=C2OC3=C(OC4OC(C(O)C(C4OC5OC(C(O)C(C5)N)C)O)CO)C=6OC7=CC=C(C(OC8OC(C(O)C(C8O)O)CO)C(NC(=O)C(NC)C9=CC=C(OC%10OC(C(OC%11OC(C(O)C(C%11O)O)CO)C(C%10O)O)C)C=C9)C(NC(C(NC(C(=C3)C6)C(=O)NC%12C(NC(C(C(=C1)C=C2)OC%13OC(C(O)C(C%13)N)C)C(=O)NC(C%14=C(C(O)=CC(=C%14)O)C=%15C=C%12C=CC%15O)C(=O)O)=O)=O)C%16=CC(Cl)=C(OC%17OC(C(O)C(C%17O)O)CO)C=C%16)=O)C=C7
Metabolite of Species Details
Saccharothrix (NCBI:txid2071) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Galacardin A (CHEBI:211261) is a oligopeptide (CHEBI:25676)
IUPAC Name
2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-48-[3-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-chloro-22-[3-chloro-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-19-[[2-[4-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-2-(methylamino)acetyl]amino]-32,35,37-trihydroxy-20,23,26,42,44-pentaoxo-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
Manual Xref Database
17288100 ChemSpider
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