Azotobactin 87-I; γ-Lactone

AlkaPlorer ID: AK290042

Synonym: Azotobactin 87-II

IUPAC Name: None

Structure

SMILES: CC(O)CC(=O)N(O)CCCC(NC(=O)C(CCO)NC(=O)C(CCO)NC(=O)C(CCO)NC(=O)C(NC(=O)CNC(=O)C(CCO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C1CCN2C(=O)NC3=CC4=CC(O)=C(O)C=C4N1[C+]32)C(O)C(=O)O)C(=O)NC1CCOC1=O

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InChI: InChI=1S/C55H78N14O27/c1-24(76)17-40(80)68(95)10-2-3-26(44(83)62-31-9-16-96-54(31)93)57-45(84)28(6-13-71)59-46(85)29(7-14-72)60-47(86)30(8-15-73)61-51(90)41(42(81)53(91)92)66-39(79)21-56-43(82)27(5-12-70)58-48(87)33(22-74)63-49(88)34(23-75)64-50(89)35-4-11-67-52-32(65-55(67)94)18-25-19-37(77)38(78)20-36(25)69(35)52/h18-20,24,26-31,33-35,41-42,70-76,81,95H,2-17,21-23H2,1H3,(H13-,56,57,58,59,60,61,62,63,64,65,66,77,78,79,82,83,84,85,86,87,88,89,90,91,92,94)/p+1

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InChIKey: PGBHSMCHTKCMNO-UHFFFAOYSA-O

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Reference

CAS: 179422-29-8

Properties Information

Molecule Weight: 1368.3080000000002

TPSA: 640.1600000000001

MolLogP: -10.923700000000007

Number of H-Donors: 23

Number of H-Acceptors: 28

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information